data_2mv4_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 2mv4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.426 0 N-CA-C 114.203 0.441 . . . . 50.0 114.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.5 -20.92 64.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.616 0.722 . . . . 50.0 109.184 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.79 -52.17 52.99 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.917 -1.038 . . . . 50.0 110.026 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.54 -37.71 87.5 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.323 0.49 . . . . 50.0 112.323 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -13.37 4.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.607 1.336 . . . . 50.0 114.607 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -97.78 -11.44 23.36 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.956 -0.465 . . . . 50.0 112.035 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 92.83 8.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -43.8 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.899 2.185 . . . . 50.0 116.899 -174.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -34.54 78.0 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.39 -0.818 . . . . 50.0 111.634 -176.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -75.44 -36.68 60.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 50.0 109.599 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.03 -38.23 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.022 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.93 -43.03 99.68 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.649 -0.657 . . . . 50.0 111.085 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.04 -37.57 75.62 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.753 -0.379 . . . . 50.0 110.747 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.69 -24.48 65.41 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.667 -0.646 . . . . 50.0 112.487 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -64.34 -34.57 78.45 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.05 -48.86 50.36 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.97 99.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -41.38 97.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.985 -0.746 . . . . 50.0 108.985 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.82 -38.98 61.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.9 1.074 . . . . 50.0 113.9 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -64.4 -23.13 67.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -10.05 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.103 -0.373 . . . . 50.0 111.264 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.26 7.36 67.46 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.387 -0.435 . . . . 50.0 114.177 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.1 124.77 39.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.764 -1.199 . . . . 50.0 107.764 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.44 84.25 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 50.0 110.853 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -137.36 156.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.55 . . . . 50.0 109.941 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -89.09 162.61 15.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.027 -1.472 . . . . 50.0 107.027 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.26 -39.87 80.33 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.867 -0.521 . . . . 50.0 110.377 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.67 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.774 0.321 . . . . 25.0 110.331 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -73.39 -38.52 65.61 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.951 -0.568 . . . . 50.0 109.651 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -73.46 -53.63 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.298 0.57 . . . . 50.0 111.352 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.68 -19.98 65.34 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.134 -0.484 . . . . 50.0 112.079 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -52.31 -36.44 53.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.541 0.686 . . . . 50.0 110.825 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.41 -23.78 32.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.346 -0.388 . . . . 50.0 111.684 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -69.51 -30.18 67.97 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.731 -0.84 . . . . 50.0 108.731 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -69.47 -38.62 77.79 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.501 -0.926 . . . . 50.0 108.501 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.43 -38.94 92.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 50.0 112.531 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -65.93 -36.53 77.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 C-N-CA 119.805 -0.758 . . . . 50.0 109.875 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -66.08 -39.77 90.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.437 1.017 . . . . 50.0 110.972 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -74.55 -26.01 59.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.896 0.702 . . . . 50.0 112.896 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -96.99 -31.87 12.3 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.291 0.567 . . . . 25.0 112.144 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 80.2 m -123.52 78.18 54.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 C-N-CA 123.113 0.565 . . . . 50.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.47 -14.16 30.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 CA-C-O 121.6 0.584 . . . . 50.0 112.189 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -16.21 44.5 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.683 -0.69 . . . . 50.0 112.239 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.24 -49.12 74.65 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.5 -0.75 . . . . 50.0 111.887 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.49 -18.46 43.46 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 113.314 -3.991 . . . . 50.0 113.634 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -70.15 -33.37 71.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 50.0 110.749 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.2 -27.14 63.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.07 26.24 41.5 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-N 115.978 -0.555 . . . . 50.0 114.108 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -128.62 128.43 44.16 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -121.11 98.62 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 123.531 1.634 . . . . 50.0 109.657 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.19 163.87 31.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.444 -2.428 . . . . 50.0 104.444 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.53 -28.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.734 -0.387 . . . . 50.0 110.96 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.17 -31.09 72.15 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.79 -0.569 . . . . 50.0 110.595 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -83.99 -43.97 14.64 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.287 0.565 . . . . 50.0 109.769 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -64.63 -28.47 69.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.563 0.949 . . . . 50.0 113.563 -176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.13 -41.75 97.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.84 -0.537 . . . . 50.0 110.569 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -58.39 -27.93 64.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.958 1.096 . . . . 50.0 113.958 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.26 -39.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 50.0 109.396 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.97 -34.07 53.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.302 -0.952 . . . . 50.0 110.845 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.65 -39.29 90.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.38 -46.8 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 50.0 111.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.97 -37.21 78.94 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.425 -0.51 . . . . 50.0 110.192 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -67.66 -42.58 81.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 50.0 110.76 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.37 -49.98 74.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.879 0.847 . . . . 50.0 109.902 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -34.16 76.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.114 -0.948 . . . . 50.0 110.917 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -68.18 -40.65 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.631 -0.259 . . . . 50.0 111.037 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.307 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 m -77.2 -39.52 48.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.47 2.62 11.82 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.273 1.953 . . . . 50.0 116.273 -174.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.45 171.26 41.15 Favored Glycine 0 C--O 1.248 0.993 0 N-CA-C 117.464 1.746 . . . . 50.0 117.464 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.47 -17.64 38.8 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.775 2.317 . . . . 50.0 115.289 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -76.71 -18.75 58.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.977 -0.452 . . . . 50.0 110.226 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -99.08 -46.5 5.56 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.237 -0.282 . . . . 50.0 110.237 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.53 130.93 23.27 Favored Pre-proline 0 C--O 1.221 -0.433 0 N-CA-C 106.721 -1.585 . . . . 50.0 106.721 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.29 153.17 12.34 Favored 'Trans proline' 0 CA--C 1.518 -0.298 0 C-N-CA 115.286 -2.676 . . . . 50.0 112.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.27 -21.4 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.897 -0.502 . . . . 50.0 110.85 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -73.57 -17.68 61.16 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.637 -0.665 . . . . 25.0 111.248 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.73 84.4 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -72.05 -31.44 66.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.196 0.522 . . . . 50.0 111.036 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -70.64 -45.99 64.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.27 -43.16 98.73 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.512 -0.767 . . . . 50.0 109.714 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.97 -37.48 76.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.434 -0.348 . . . . 50.0 111.712 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -65.13 -34.4 78.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 50.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.44 -42.09 98.66 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.002 0.43 . . . . 50.0 110.471 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.71 -31.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.782 -0.767 . . . . 25.0 109.134 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.95 -45.19 91.08 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.565 -0.709 . . . . 50.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.61 -31.62 68.65 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.074 -0.651 . . . . 50.0 110.152 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.94 -41.75 95.24 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 111.653 0.242 . . . . 50.0 111.653 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.0 mt -79.39 -40.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.284 -0.566 . . . . 50.0 110.419 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.2 -34.49 73.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.659 -0.497 . . . . 50.0 109.659 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 32.96 5.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 50.0 111.767 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -66.34 -21.82 66.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.292 0.567 . . . . 50.0 109.697 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -62.83 -22.18 66.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.569 0.951 . . . . 50.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.93 9.67 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.423 0.63 . . . . 50.0 110.234 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.56 81.95 67.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.683 -0.488 . . . . 50.0 109.683 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -66.24 -19.33 56.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.764 -1.024 . . . . 50.0 113.857 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -62.55 -46.51 88.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.9 -29.41 6.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.428 0 C-N-CA 120.116 -0.634 . . . . 50.0 111.336 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -58.65 -41.24 85.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.841 0.746 . . . . 50.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.9 74.66 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.176 -0.61 . . . . 25.0 110.25 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.77 62.99 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.12 -46.03 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.59 -0.893 . . . . 50.0 108.59 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.26 88.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.683 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -38.52 83.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.503 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -68.7 -39.71 80.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.565 -0.709 . . . . 25.0 109.536 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.46 -41.06 98.49 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.319 -0.553 . . . . 50.0 110.796 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.89 -45.89 92.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 50.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.39 -38.89 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.093 -0.503 . . . . 50.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.92 -40.48 93.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.794 -0.566 . . . . 50.0 111.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mttt . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.381 -0.372 . . . . 50.0 111.705 -178.571 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.405 0 N-CA-C 114.009 0.363 . . . . 50.0 114.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.01 -35.14 79.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.905 0.352 . . . . 50.0 111.836 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -78.37 -33.41 48.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.414 0.626 . . . . 50.0 111.541 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.83 -39.85 95.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.292 -0.413 . . . . 50.0 111.238 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -12.59 32.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.063 1.134 . . . . 50.0 114.063 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.36 -10.63 22.04 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.204 0.526 . . . . 50.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -90.52 89.23 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.07 -38.16 56.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 116.068 1.877 . . . . 50.0 116.068 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -62.88 -31.11 72.09 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.339 -0.851 . . . . 50.0 112.486 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -78.79 -38.26 38.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.76 -37.83 61.87 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.462 -0.569 . . . . 50.0 109.462 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.55 -45.78 92.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.278 0.844 . . . . 50.0 113.278 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.34 -41.28 73.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 50.0 110.169 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.26 -24.72 65.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 50.0 111.01 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -56.44 -44.22 80.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -75.5 -41.34 55.59 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.439 -0.8 . . . . 50.0 109.966 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.13 99.47 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.784 -0.573 . . . . 25.0 112.148 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.97 -42.43 94.1 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -74.99 -39.5 61.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.17 1.174 . . . . 50.0 114.17 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -67.05 -26.46 66.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 117.785 0.266 . . . . 25.0 111.583 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.993 -0.283 . . . . 50.0 110.547 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 3.18 81.27 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-O 121.319 0.4 . . . . 50.0 113.21 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.48 125.84 41.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.384 -1.709 . . . . 50.0 106.384 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -83.23 84.4 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.0 0.429 . . . . 50.0 110.082 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.62 158.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.246 -1.39 . . . . 50.0 107.246 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -102.81 170.21 8.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 50.0 109.62 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.44 -37.6 78.54 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 110.188 -0.301 . . . . 50.0 110.188 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.57 84.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.41 . . . . 25.0 110.414 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -74.11 -43.2 58.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 50.0 109.872 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.99 -54.93 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.027 0.751 . . . . 50.0 113.027 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.15 -20.01 65.0 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.759 0.652 . . . . 50.0 112.759 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.49 -42.6 78.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.011 0.434 . . . . 50.0 110.238 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -77.07 -23.8 51.94 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.222 -0.299 . . . . 50.0 111.533 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.94 -21.87 63.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.92 -21.22 29.74 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.394 -0.816 . . . . 50.0 110.48 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -73.2 -38.34 66.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.31 -0.244 . . . . 50.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -35.11 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.931 -0.766 . . . . 50.0 108.931 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.135 -0.353 . . . . 50.0 110.533 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -48.08 28.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.292 0.479 . . . . 50.0 112.292 -177.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -71.31 -33.38 69.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.404 0.621 . . . . 25.0 111.703 -176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 65.1 m -121.9 78.76 40.89 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.039 -0.528 . . . . 50.0 109.749 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.42 -17.13 39.28 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.427 0.511 . . . . 50.0 112.603 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -19.56 46.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.856 -0.611 . . . . 50.0 112.516 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -64.74 -51.56 57.14 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.611 -0.681 . . . . 50.0 111.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.92 -17.49 32.25 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 113.803 -3.664 . . . . 50.0 113.745 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.76 -39.38 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.494 0.187 . . . . 50.0 110.923 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 -28.11 62.26 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.045 -0.724 . . . . 50.0 109.045 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.6 17.34 48.31 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.17 0.828 . . . . 50.0 115.17 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.7 m -114.18 136.01 53.41 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.6 mt -128.27 103.99 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.795 1.283 . . . . 50.0 110.849 -172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -147.9 162.25 39.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 104.167 -2.531 . . . . 50.0 104.167 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.53 -29.58 47.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.779 0.323 . . . . 50.0 110.643 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -62.13 -36.54 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 50.0 110.461 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -85.51 -38.51 18.47 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.366 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -62.44 -29.1 70.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.183 0.438 . . . . 50.0 112.183 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -59.3 -41.82 89.89 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 122.175 -0.328 . . . . 50.0 111.799 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -59.8 -25.33 64.86 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 113.714 1.005 . . . . 50.0 113.714 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.67 -40.29 79.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.526 0.679 . . . . 50.0 109.582 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.99 -36.66 64.62 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.062 -1.215 . . . . 50.0 110.062 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.12 -41.72 98.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -42.06 99.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 50.0 112.011 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.76 -38.31 90.55 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.049 -0.722 . . . . 50.0 109.049 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.22 -42.57 88.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.679 -0.237 . . . . 50.0 110.636 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.96 -46.5 89.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.362 0.601 . . . . 50.0 110.116 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.4 -39.23 91.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.323 0.583 . . . . 50.0 110.268 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -66.0 -38.08 87.56 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 112.221 0.452 . . . . 50.0 112.221 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -30.8 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.62 -0.832 . . . . 50.0 109.807 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.6 m -69.93 -43.09 72.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.497 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.78 6.39 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 117.549 2.426 . . . . 50.0 117.549 -170.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.48 -178.61 47.45 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 117.033 1.573 . . . . 50.0 117.033 174.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.44 -12.64 27.39 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.396 2.064 . . . . 50.0 114.386 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -72.71 -30.14 63.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.225 0.536 . . . . 50.0 109.902 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -97.99 -37.84 9.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 50.0 112.678 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.46 130.99 24.55 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 107.101 -1.444 . . . . 50.0 107.101 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.21 147.92 18.71 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 114.783 -3.011 . . . . 50.0 113.583 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.17 -21.39 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 121.835 -0.541 . . . . 50.0 111.443 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 t -70.36 -21.06 62.93 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.592 -0.693 . . . . 25.0 111.222 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.42 82.81 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.318 -0.553 . . . . 25.0 110.48 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -72.94 -30.68 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 110.873 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 t -70.23 -45.3 66.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.2 -44.6 94.89 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.758 -0.655 . . . . 50.0 109.497 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -56.91 -40.63 76.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.057 0.456 . . . . 50.0 111.645 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -66.22 -33.38 75.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 50.0 110.799 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -63.89 -47.29 81.22 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.769 -0.456 . . . . 50.0 109.769 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.76 -31.32 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.219 -0.926 . . . . 25.0 109.266 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.57 -42.65 88.49 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.815 -0.553 . . . . 50.0 110.606 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -27.85 60.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.878 0.763 . . . . 50.0 110.651 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.35 -45.93 85.68 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.56 -41.3 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.106 0.479 . . . . 50.0 111.108 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -115.6 29.61 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.154 0.428 . . . . 50.0 112.154 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -62.27 -25.36 67.8 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.201 0.524 . . . . 50.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -49.05 77.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.196 0.998 . . . . 50.0 113.225 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.06 6.73 6.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.181 -1.372 . . . . 50.0 112.413 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.93 85.79 50.51 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 110.096 -0.335 . . . . 50.0 110.096 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -66.9 -23.71 47.06 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 117.66 -1.094 . . . . 50.0 114.493 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -66.92 -28.2 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 50.0 109.369 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.8 -49.06 16.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 CA-C-N 115.983 -0.553 . . . . 50.0 109.968 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -39.74 75.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.622 0.601 . . . . 50.0 112.622 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.97 79.44 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 120.452 -0.499 . . . . 25.0 110.404 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.1 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.679 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.18 -49.55 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.178 -1.416 . . . . 50.0 107.178 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.39 94.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.815 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.77 -39.77 90.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.749 0.309 . . . . 50.0 111.415 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -68.85 -38.9 80.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.052 -0.659 . . . . 25.0 109.235 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.45 -42.05 95.35 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.342 -0.543 . . . . 50.0 111.119 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -59.04 -47.31 85.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.375 0.607 . . . . 50.0 110.353 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -38.49 82.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.848 -0.615 . . . . 50.0 110.568 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.11 -39.78 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.224 -0.298 . . . . 50.0 111.501 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.979 0.419 . . . . 50.0 110.176 178.248 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 N-CA-C 111.706 -0.558 . . . . 50.0 111.706 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.998 0.399 . . . . 50.0 110.991 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.44 -24.14 53.93 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.231 -0.587 . . . . 50.0 110.826 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.47 -0.769 . . . . 50.0 111.065 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -10.31 47.05 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -107.15 -15.82 14.57 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.507 0.67 . . . . 50.0 109.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -82.13 86.18 6.66 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 105.673 -1.973 . . . . 50.0 105.673 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.73 -35.02 55.18 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 114.969 1.47 . . . . 50.0 114.969 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.29 -37.48 83.37 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.531 0.605 . . . . 50.0 112.017 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -75.64 -36.48 60.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.587 -0.696 . . . . 50.0 109.269 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.8 t -59.04 -40.53 80.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 109.489 -0.56 . . . . 50.0 109.489 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.9 -45.58 89.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.263 0.483 . . . . 50.0 112.066 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.26 -39.78 95.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.362 -0.535 . . . . 50.0 109.579 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.01 -23.55 64.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.66 0.985 . . . . 50.0 113.66 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -58.15 -40.56 81.71 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 106.466 -1.679 . . . . 50.0 106.466 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.87 -39.25 20.12 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.396 -0.82 . . . . 50.0 111.617 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.99 83.79 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.41 -40.8 96.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.826 -1.175 . . . . 50.0 107.826 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.51 -45.05 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 50.0 113.013 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 p -69.22 -20.12 63.96 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.328 -0.232 . . . . 25.0 111.363 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -23.44 61.28 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 110.226 -0.287 . . . . 50.0 110.226 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 10.03 79.46 Favored Glycine 0 CA--C 1.516 0.105 0 CA-C-N 116.351 -0.386 . . . . 50.0 112.363 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.48 122.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.13 84.62 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.38 141.62 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -75.26 145.08 42.18 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 107.512 -1.292 . . . . 50.0 107.512 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -52.08 64.67 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.476 0.547 . . . . 50.0 112.476 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 25.0 111.297 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -84.68 -34.71 22.93 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 122.202 -0.311 . . . . 50.0 111.085 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.01 -51.8 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.302 -0.559 . . . . 50.0 110.449 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.01 -19.82 47.22 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.324 0.861 . . . . 50.0 113.324 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -53.57 -45.16 69.81 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.478 0.656 . . . . 50.0 109.616 171.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -75.53 -23.94 56.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.079 -0.51 . . . . 50.0 111.434 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.43 -23.85 62.8 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.99 -27.34 26.53 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.595 -0.691 . . . . 50.0 110.438 174.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -67.47 -33.85 75.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.834 0.679 . . . . 50.0 112.834 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -30.64 49.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.607 -0.683 . . . . 50.0 109.912 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -60.12 -38.2 82.29 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.154 -0.341 . . . . 50.0 111.598 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -64.01 -51.74 62.81 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.358 0.599 . . . . 50.0 111.321 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -81.88 -26.46 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.41 74.11 80.0 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 112.395 0.516 . . . . 50.0 112.395 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.22 -12.47 30.07 Favored 'Trans proline' 0 C--N 1.345 0.347 0 CA-C-O 121.919 0.716 . . . . 50.0 111.881 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -11.27 53.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 50.0 112.401 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.82 -50.33 64.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 O-C-N 121.728 -0.608 . . . . 50.0 111.723 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.46 -22.61 44.89 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 113.626 -3.783 . . . . 50.0 113.993 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.246 -0.283 . . . . 50.0 111.606 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -65.94 -29.92 70.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 50.0 110.668 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.99 29.11 73.31 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 114.509 0.564 . . . . 50.0 114.509 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -146.66 139.66 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -125.06 112.3 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.474 1.13 . . . . 50.0 110.178 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.59 161.28 42.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 106.226 -1.768 . . . . 50.0 106.226 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.18 -31.8 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.804 -0.18 . . . . 50.0 111.196 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -67.42 -31.44 71.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.979 -0.45 . . . . 50.0 110.701 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -80.42 -36.66 33.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -62.68 -25.76 68.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.716 0.636 . . . . 50.0 112.716 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -52.8 -47.24 67.74 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.952 -0.388 . . . . 50.0 109.952 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.42 -30.23 62.55 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.521 0.934 . . . . 50.0 113.521 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -39.32 81.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.358 0.599 . . . . 50.0 109.816 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.06 -35.7 53.11 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.448 -1.061 . . . . 50.0 110.448 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.95 -39.82 95.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -45.73 88.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.531 -0.759 . . . . 50.0 111.522 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.25 -33.27 74.28 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.615 -0.434 . . . . 50.0 109.996 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.97 -41.82 90.67 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.141 -0.224 . . . . 50.0 110.74 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.53 -33.29 60.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.677 0.751 . . . . 50.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.55 91.71 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -69.44 -38.85 78.01 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.107 -0.952 . . . . 50.0 110.851 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.953 -0.467 . . . . 50.0 110.754 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -71.75 -42.14 67.58 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.34 3.32 9.74 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.961 1.838 . . . . 50.0 115.961 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.43 -176.9 54.05 Favored Glycine 0 C--O 1.242 0.638 0 N-CA-C 115.428 0.931 . . . . 50.0 115.428 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.28 -9.38 24.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.744 2.296 . . . . 50.0 115.306 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -78.7 -32.07 46.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 50.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -88.18 -40.51 13.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.66 -0.245 . . . . 50.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.51 130.95 24.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.646 -1.612 . . . . 50.0 106.646 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.33 154.46 18.75 Favored 'Trans proline' 0 CA--C 1.519 -0.245 0 C-N-CA 115.571 -2.486 . . . . 50.0 112.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.08 -20.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.788 -0.57 . . . . 50.0 110.335 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -74.08 -17.28 60.98 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 121.724 -0.61 . . . . 25.0 111.151 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.13 81.66 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -71.28 -31.46 67.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.088 0.471 . . . . 50.0 111.387 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -71.84 -45.57 60.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.687 -0.857 . . . . 50.0 108.687 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -63.03 -42.03 99.68 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.563 -0.744 . . . . 50.0 109.542 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.8 -39.95 90.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.834 0.35 . . . . 50.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.37 -28.38 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 50.0 111.604 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.8 -46.01 83.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.5 -30.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.51 -48.04 83.19 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.739 -0.601 . . . . 50.0 110.149 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.41 -22.46 61.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.908 0.776 . . . . 50.0 110.771 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.5 tp -75.75 -42.59 50.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.039 0.535 . . . . 50.0 111.293 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.9 -37.77 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.61 -31.32 66.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.259 0.552 . . . . 50.0 111.622 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -108.29 21.21 17.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.097 0.777 . . . . 50.0 113.097 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.55 -23.0 66.75 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.224 0.453 . . . . 50.0 112.224 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.16 -31.61 72.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.002 0.742 . . . . 50.0 113.002 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -110.4 9.41 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.716 0.769 . . . . 50.0 109.955 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -124.96 80.43 63.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.58 -17.35 56.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 117.075 -1.483 . . . . 50.0 113.308 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.23 -43.11 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.014 -0.735 . . . . 50.0 109.014 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.78 -28.47 6.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 C-N-CA 119.883 -0.727 . . . . 50.0 111.364 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -36.95 81.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.427 -0.796 . . . . 50.0 110.53 -177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.68 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.145 0.498 . . . . 25.0 110.757 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.12 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.38 -49.66 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.51 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.465 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -39.45 93.56 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.618 -0.433 . . . . 50.0 111.821 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 m -69.98 -36.27 75.05 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.383 -0.927 . . . . 25.0 108.715 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -59.58 -38.53 81.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.147 0.431 . . . . 50.0 111.594 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.89 -44.2 97.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.918 0.866 . . . . 50.0 109.493 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.31 -31.72 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.427 -0.806 . . . . 50.0 109.65 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.56 -37.5 87.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.651 -0.656 . . . . 50.0 110.293 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 120.743 -0.383 . . . . 50.0 110.508 178.669 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.431 0 N-CA-C 110.358 -1.097 . . . . 50.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -65.95 -35.98 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.51 -44.44 90.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 50.0 110.381 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -64.89 -40.75 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.242 -0.286 . . . . 50.0 111.261 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -61.17 -20.08 62.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.184 1.179 . . . . 50.0 114.184 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -99.68 -14.95 18.7 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.365 0.603 . . . . 50.0 110.794 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -84.74 90.63 7.77 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.755 -1.572 . . . . 50.0 106.755 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.82 -35.39 32.05 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 114.798 1.407 . . . . 50.0 114.798 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.85 -30.99 71.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.035 0.834 . . . . 50.0 113.019 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -70.56 -43.21 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.11 -35.47 68.92 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-N 114.93 -1.032 . . . . 50.0 110.025 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -54.69 -49.59 70.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.225 0.92 . . . . 50.0 111.603 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -68.45 -39.73 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.202 0.525 . . . . 50.0 110.449 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -23.82 64.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -62.01 -44.41 96.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.107 -1.442 . . . . 50.0 107.107 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -74.97 -35.04 62.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.664 -0.698 . . . . 50.0 110.595 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.12 79.39 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.37 -42.21 99.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.48 -48.44 75.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.57 -20.24 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.155 -0.341 . . . . 25.0 111.795 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -75.92 -22.74 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.102 -0.703 . . . . 50.0 109.102 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 16.73 79.03 Favored Glycine 0 N--CA 1.455 -0.083 0 N-CA-C 111.844 -0.502 . . . . 50.0 111.844 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.16 115.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.153 0.978 . . . . 50.0 109.302 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -81.69 84.28 6.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 50.0 108.994 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.12 150.05 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.781 -1.192 . . . . 50.0 107.781 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.73 142.45 46.32 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.301 -1.74 . . . . 50.0 106.301 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -48.06 79.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.37 0.507 . . . . 50.0 112.37 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.35 71.12 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.801 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -74.35 -41.24 61.38 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 110.281 -0.266 . . . . 50.0 110.281 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -51.37 62.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.364 -0.934 . . . . 50.0 109.829 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.98 -19.99 64.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.374 0.879 . . . . 50.0 113.374 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -63.9 -32.08 73.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.372 -0.83 . . . . 50.0 110.255 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -78.03 -23.82 48.04 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.326 -0.859 . . . . 50.0 111.037 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.01 -21.91 62.23 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 107.74 -1.207 . . . . 50.0 107.74 171.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.91 -34.95 22.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.523 0.677 . . . . 50.0 110.874 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.15 -34.05 75.66 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -33.34 56.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 O-C-N 122.192 -0.317 . . . . 50.0 110.695 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -61.01 -34.32 74.64 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.983 0.734 . . . . 50.0 112.983 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.77 -51.15 20.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.952 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -64.58 -38.47 91.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.873 0.844 . . . . 25.0 110.827 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.71 80.95 40.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.406 -0.815 . . . . 50.0 110.077 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -69.75 -14.3 35.91 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 CA-C-O 121.728 0.637 . . . . 50.0 112.216 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.57 -15.39 37.54 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.78 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.89 -47.03 75.31 Favored Pre-proline 0 N--CA 1.471 0.598 0 N-CA-C 114.207 1.188 . . . . 50.0 114.207 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.18 -24.31 44.48 Favored 'Trans proline' 0 C--N 1.355 0.894 1 C-N-CA 112.807 -4.328 . . . . 50.0 113.369 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -15.53 62.34 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.111 0.412 . . . . 50.0 112.111 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.24 -24.57 64.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.61 17.6 20.72 Favored Glycine 0 C--O 1.223 -0.557 0 N-CA-C 115.601 1.0 . . . . 50.0 115.601 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.3 m -139.81 139.0 36.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -111.7 115.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.491 1.139 . . . . 50.0 108.931 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -152.16 156.72 40.37 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.286 -1.376 . . . . 50.0 107.286 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 tp -66.3 -29.61 47.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.814 -0.63 . . . . 50.0 111.589 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -66.03 -36.38 83.11 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.672 -0.642 . . . . 50.0 109.38 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -78.37 -37.31 44.49 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.369 -0.378 . . . . 50.0 110.434 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -66.59 -29.49 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 50.0 111.925 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.76 -40.06 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.805 -0.559 . . . . 50.0 110.855 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -54.96 -32.81 61.79 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.711 0.634 . . . . 50.0 112.711 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.06 -39.05 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.301 0.572 . . . . 50.0 109.993 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.9 -37.95 75.05 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.701 -0.96 . . . . 50.0 110.701 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -62.18 -40.16 95.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -41.0 94.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.376 -0.829 . . . . 50.0 112.363 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.65 -36.06 82.59 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.69 -43.15 94.45 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.6 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.865 0.84 . . . . 50.0 111.104 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -36.74 84.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.24 -0.891 . . . . 50.0 109.53 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.62 -41.71 71.88 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.98 -0.554 . . . . 50.0 110.869 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.42 -33.78 75.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.897 -0.502 . . . . 50.0 110.775 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.3 m -76.58 -40.74 48.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.35 2.41 10.8 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.918 1.822 . . . . 50.0 115.918 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.7 -176.23 53.86 Favored Glycine 0 C--O 1.244 0.74 0 N-CA-C 114.948 0.739 . . . . 50.0 114.948 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.86 -13.0 31.6 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.388 1.392 . . . . 50.0 113.697 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.277 0.561 . . . . 50.0 110.416 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -101.34 -35.23 9.3 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.013 0.745 . . . . 50.0 113.013 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.15 130.81 23.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -81.39 154.33 18.57 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.648 -2.435 . . . . 50.0 111.539 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.02 -20.46 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.608 -0.682 . . . . 50.0 110.784 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -73.71 -19.34 60.84 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.662 -0.649 . . . . 25.0 111.213 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.89 80.97 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.707 -0.62 . . . . 25.0 109.802 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.55 -30.73 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.559 . . . . 50.0 110.868 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -73.76 -45.16 53.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.738 -0.838 . . . . 50.0 108.738 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.12 -45.83 91.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.685 -0.689 . . . . 50.0 109.257 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.84 -40.46 80.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.822 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -63.63 -30.86 71.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.213 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.09 -43.3 82.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.373 0.606 . . . . 50.0 109.411 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.73 -29.99 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.704 -0.623 . . . . 25.0 109.664 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -58.92 -47.01 86.57 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.719 -0.474 . . . . 50.0 109.719 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.93 -27.87 62.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.96 -0.696 . . . . 50.0 110.982 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.03 -40.95 97.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.96 -0.462 . . . . 50.0 111.196 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.74 -40.72 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.538 -0.465 . . . . 50.0 109.844 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.75 -31.25 70.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.949 0.404 . . . . 50.0 110.693 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -116.09 31.94 6.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.73 -18.91 65.66 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.538 0.685 . . . . 50.0 109.811 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.79 -31.74 71.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.852 -1.067 . . . . 50.0 113.026 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.6 8.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.547 0.689 . . . . 50.0 110.225 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -125.93 82.83 63.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.878 -0.601 . . . . 50.0 109.83 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.49 -18.69 38.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.623 -1.118 . . . . 50.0 113.81 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -64.37 -44.75 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.57 -0.9 . . . . 50.0 108.57 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.86 -25.32 6.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.929 -0.578 . . . . 50.0 110.986 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -35.81 78.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.638 -0.664 . . . . 50.0 110.37 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.54 74.13 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 122.044 -0.41 . . . . 25.0 110.887 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.74 -31.66 52.25 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.058 -0.401 . . . . 25.0 109.994 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -47.3 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.824 -1.176 . . . . 50.0 107.824 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.32 83.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 25.0 110.94 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.67 -36.68 83.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 50.0 111.968 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -60.51 -45.0 95.42 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -58.75 -46.33 87.68 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.617 -0.433 . . . . 50.0 111.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -65.56 -36.73 84.64 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.575 -0.45 . . . . 50.0 111.838 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.9 mt -69.37 -37.71 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.18 -39.03 92.34 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.032 -0.417 . . . . 50.0 111.17 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 mttt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.944 0.402 . . . . 50.0 110.677 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.163 0 N-CA-C 111.99 -0.444 . . . . 50.0 111.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -62.2 -35.55 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.453 0.168 . . . . 50.0 111.453 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -32.8 21.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.106 -0.371 . . . . 50.0 110.239 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.86 -38.45 90.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.762 -0.586 . . . . 50.0 110.654 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -58.53 -18.69 31.45 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.433 1.642 . . . . 50.0 115.433 173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.28 3.1 12.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.478 0.581 . . . . 50.0 110.939 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.2 76.73 9.85 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 104.077 -2.564 . . . . 50.0 104.077 171.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.74 -28.92 6.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.327 1.973 . . . . 50.0 116.327 -168.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -71.03 -34.07 70.92 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.543 -0.723 . . . . 50.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -73.14 -39.33 65.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.75 -37.07 63.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.532 -0.758 . . . . 50.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.25 -47.28 84.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.684 0.624 . . . . 50.0 112.684 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -70.69 -30.29 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.525 -0.735 . . . . 50.0 110.221 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.22 -23.5 62.94 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.089 -0.382 . . . . 50.0 111.556 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.63 -40.49 97.01 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.52 -46.8 68.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.052 -0.721 . . . . 50.0 109.052 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.87 97.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.387 0.884 . . . . 25.0 113.387 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.14 -40.09 96.56 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -67.99 -44.69 76.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -69.08 -20.86 64.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.657 0.984 . . . . 25.0 113.657 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.7 tpt85 -75.08 -17.73 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.215 -0.594 . . . . 50.0 109.402 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.49 8.51 86.94 Favored Glycine 0 C--O 1.227 -0.297 0 CA-C-N 116.272 -0.422 . . . . 50.0 113.059 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -111.51 119.65 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 50.0 108.307 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -80.71 84.77 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.325 -0.398 . . . . 50.0 110.412 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -101.17 141.34 17.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.8 137.04 55.07 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 105.937 -1.875 . . . . 50.0 105.937 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -47.04 74.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.676 0.621 . . . . 50.0 112.676 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.6 75.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.022 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.41 -36.76 71.45 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.776 -0.37 . . . . 50.0 111.344 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -53.03 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.072 -0.651 . . . . 50.0 110.515 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.82 -20.65 63.87 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.241 0.83 . . . . 50.0 113.241 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -60.81 -35.65 77.04 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.707 -0.621 . . . . 50.0 109.977 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -76.81 -23.9 52.81 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.526 -0.734 . . . . 50.0 111.294 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.54 -20.34 62.04 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.79 -36.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -66.9 -34.31 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -38.17 80.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.775 -0.824 . . . . 50.0 108.775 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -39.93 87.12 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.882 -0.511 . . . . 50.0 110.922 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.06 -42.55 99.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.237 0.541 . . . . 50.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 m -79.41 -35.04 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.402 0.62 . . . . 25.0 111.523 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.88 85.94 40.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 122.946 0.498 . . . . 50.0 111.097 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -70.28 -15.37 35.11 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 117.813 -0.991 . . . . 50.0 113.015 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.17 -14.16 44.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 50.0 112.377 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.77 -48.36 52.84 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.121 -0.987 . . . . 50.0 112.018 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.71 -22.69 31.97 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 114.245 -3.37 . . . . 50.0 113.343 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.13 -33.94 76.91 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.895 0.478 . . . . 50.0 111.342 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.04 -29.72 70.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 50.0 110.705 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.97 16.96 42.21 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.427 -0.351 . . . . 50.0 113.788 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -128.82 132.06 47.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -173.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.65 110.53 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 CA-C-O 122.857 1.313 . . . . 50.0 107.521 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.23 159.39 44.41 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.049 -1.432 . . . . 50.0 108.882 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.79 -32.37 56.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.653 -1.158 . . . . 50.0 111.789 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 48.1 mtmt -68.67 -36.89 79.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.868 -0.52 . . . . 50.0 109.684 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -73.44 -33.22 64.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.509 -0.923 . . . . 50.0 108.509 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -65.72 -29.96 70.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.594 -0.442 . . . . 50.0 111.345 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 23.4 mmt180 -58.44 -43.7 88.86 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -65.69 -24.97 67.12 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 113.961 1.097 . . . . 50.0 113.961 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.79 -37.02 78.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.037 -1.098 . . . . 50.0 108.037 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -37.25 67.33 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.279 -0.873 . . . . 50.0 111.137 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.31 -43.83 92.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -45.72 92.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.311 -0.859 . . . . 50.0 112.245 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.56 -38.11 89.89 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.927 -0.709 . . . . 50.0 109.499 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.9 -47.71 76.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.886 0.374 . . . . 50.0 110.332 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.79 -41.02 88.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.92 0.391 . . . . 50.0 110.283 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.14 -38.4 88.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.362 -0.607 . . . . 50.0 109.362 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.221 -0.299 . . . . 50.0 110.67 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -69.51 -32.64 71.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 50.0 110.795 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -78.88 -41.02 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.5 1.77 11.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.713 1.746 . . . . 50.0 115.713 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.55 177.2 46.29 Favored Glycine 0 C--O 1.242 0.641 0 N-CA-C 116.248 1.259 . . . . 50.0 116.248 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.73 -11.03 25.69 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.725 2.283 . . . . 50.0 114.46 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.53 -34.08 54.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.936 0.398 . . . . 50.0 110.177 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.99 -41.62 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.276 . . . . 50.0 111.035 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.0 t -114.82 130.85 23.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 107.214 -1.402 . . . . 50.0 107.214 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.73 153.38 15.19 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 115.485 -2.543 . . . . 50.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.33 -20.23 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.301 0.572 . . . . 50.0 110.332 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -73.4 -16.79 61.32 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 121.721 -0.612 . . . . 25.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.98 83.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.65 -32.41 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 50.0 111.158 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -70.09 -45.51 66.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.833 -0.803 . . . . 50.0 108.833 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.69 -40.85 97.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.647 -0.706 . . . . 50.0 110.336 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -58.91 -41.54 87.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 50.0 110.749 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -65.22 -28.68 69.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.814 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tt -65.35 -42.2 93.06 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 120.707 0.289 . . . . 50.0 110.264 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.55 -30.1 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 121.539 -0.725 . . . . 25.0 109.137 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -55.77 -50.79 69.47 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 116.423 -0.353 . . . . 50.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.82 -26.89 65.41 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.844 -0.342 . . . . 50.0 111.193 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.29 -36.68 69.02 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.622 -0.228 . . . . 50.0 111.35 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.15 -40.42 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.668 -0.864 . . . . 50.0 108.668 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.98 -37.07 73.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.075 0.464 . . . . 50.0 110.266 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -115.54 34.99 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 50.0 112.072 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -65.07 -21.26 66.79 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.037 0.446 . . . . 50.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.26 -34.67 76.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.67 6.85 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.61 0.719 . . . . 50.0 109.944 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -125.87 77.95 70.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.47 -21.62 53.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.229 -1.38 . . . . 50.0 114.26 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.91 -37.6 84.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.099 -0.376 . . . . 50.0 110.376 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.9 -27.83 6.65 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 119.858 -0.737 . . . . 50.0 110.094 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.13 -38.13 85.27 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.33 71.43 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.657 -0.652 . . . . 25.0 110.851 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.41 53.07 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 122.082 -0.386 . . . . 25.0 110.092 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.05 -53.1 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.433 -1.321 . . . . 50.0 107.433 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.68 98.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.078 0.466 . . . . 25.0 111.63 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.22 -45.56 91.07 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.142 -0.623 . . . . 50.0 110.89 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.7 m -59.35 -40.82 87.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.052 -0.351 . . . . 25.0 110.052 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.15 -53.35 59.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.619 0.229 . . . . 50.0 111.619 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.23 -29.48 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.25 -42.29 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.63 -37.76 87.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.353 0.872 . . . . 50.0 113.353 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.113 0.482 . . . . 50.0 110.1 179.215 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.486 0 N-CA-C 111.35 -0.7 . . . . 50.0 111.35 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.74 -37.61 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -82.58 -22.45 34.85 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.06 -0.656 . . . . 50.0 110.817 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.42 -35.64 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -19.11 65.72 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.957 0.725 . . . . 50.0 112.957 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.61 -17.08 20.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.48 0.657 . . . . 50.0 110.824 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -82.41 85.39 6.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.3 -30.96 19.79 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 116.76 2.133 . . . . 50.0 116.76 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.49 -28.77 59.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.623 -0.673 . . . . 50.0 111.685 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -75.15 -42.51 55.91 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.275 -1.38 . . . . 50.0 107.275 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.34 -36.14 57.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.083 -0.962 . . . . 50.0 110.476 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.03 -49.01 74.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.771 -0.581 . . . . 50.0 112.221 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.72 -37.94 67.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 50.0 110.847 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.37 -24.96 66.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -58.37 -44.13 88.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.324 -0.991 . . . . 50.0 108.324 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.94 -38.92 57.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 50.0 109.918 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.73 90.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.34 -42.89 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.096 0.474 . . . . 50.0 110.281 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.37 -45.42 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -70.88 -14.08 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.768 0.318 . . . . 25.0 111.536 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.57 -21.25 61.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 50.0 110.337 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.23 12.47 84.3 Favored Glycine 0 C--O 1.227 -0.294 0 CA-C-N 116.341 -0.39 . . . . 50.0 113.083 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.0 123.02 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -83.11 84.35 7.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 50.0 111.732 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 m -120.25 147.03 24.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 106.306 -1.738 . . . . 50.0 106.306 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -85.45 158.82 20.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.554 -1.647 . . . . 50.0 106.554 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -41.26 76.88 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.722 -0.217 . . . . 50.0 111.115 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.76 74.77 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.54 -45.09 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 50.0 109.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.48 -50.52 67.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 75.0 110.463 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -20.01 64.5 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -63.19 -34.7 78.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.656 -0.653 . . . . 50.0 110.074 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.74 -23.25 39.56 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.899 -0.5 . . . . 50.0 111.567 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.69 -18.5 62.16 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.35 -36.17 22.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.661 0.743 . . . . 50.0 109.064 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.32 -34.46 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.089 0.774 . . . . 50.0 113.089 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 C-N-CA 120.094 -0.642 . . . . 50.0 109.903 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -64.24 -38.82 92.39 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.822 -0.548 . . . . 50.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 -51.42 64.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.754 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -78.41 -27.53 46.68 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 m -121.33 80.07 36.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.04 -17.26 40.92 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 118.209 -0.728 . . . . 50.0 112.899 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -13.01 59.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.775 0.658 . . . . 50.0 112.775 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -67.41 -50.47 37.8 Favored Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.197 -0.94 . . . . 50.0 112.43 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.92 -21.31 37.69 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 113.897 -3.602 . . . . 50.0 113.289 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.21 -33.71 76.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.379 0.272 . . . . 50.0 111.188 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.57 -24.63 62.81 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.183 -0.323 . . . . 50.0 110.849 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 22.04 49.8 Favored Glycine 0 C--O 1.224 -0.488 0 N-CA-C 116.298 1.279 . . . . 50.0 116.298 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.521 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 17.1 m -133.13 133.47 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.635 0.718 . . . . 25.0 111.065 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.76 103.5 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-O 123.31 1.529 . . . . 50.0 109.474 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -153.09 162.72 40.98 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.308 -1.769 . . . . 50.0 108.765 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -64.4 -28.03 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.494 -0.321 . . . . 50.0 110.434 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -62.54 -33.5 75.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.689 -0.632 . . . . 50.0 111.17 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 3.6 mpt_? -85.29 -42.59 14.48 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.643 -0.502 . . . . 50.0 109.643 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -63.56 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.007 0.743 . . . . 50.0 113.007 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -59.86 -45.81 91.29 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.965 -0.459 . . . . 50.0 110.394 176.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -61.89 -25.63 67.67 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.013 0.746 . . . . 50.0 113.013 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.05 -41.8 87.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.453 0.644 . . . . 50.0 109.274 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.62 -35.13 55.84 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.311 -0.947 . . . . 50.0 110.936 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.27 -38.11 89.87 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.36 -43.92 96.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 50.0 111.615 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -63.17 -38.07 89.73 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.535 -0.913 . . . . 50.0 108.535 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -67.6 -41.1 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.175 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.09 -47.06 86.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.414 0.626 . . . . 50.0 109.812 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.89 -35.58 80.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.107 0.479 . . . . 50.0 111.035 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -68.19 -40.73 82.14 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 112.417 0.525 . . . . 50.0 112.417 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -31.62 70.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.174 -0.954 . . . . 50.0 110.492 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -63.95 -44.27 93.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -127.32 5.04 6.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.365 1.987 . . . . 50.0 116.365 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.9 -166.27 50.16 Favored Glycine 0 C--O 1.242 0.656 0 O-C-N 121.421 -0.799 . . . . 50.0 113.41 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.09 -5.65 17.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.806 1.67 . . . . 50.0 113.951 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -74.32 -16.91 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.982 0.42 . . . . 50.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.31 -41.26 7.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.28 130.91 23.11 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.537 -1.283 . . . . 50.0 107.537 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.52 144.63 50.53 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.015 -2.857 . . . . 50.0 111.936 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.99 -21.58 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 121.991 -0.443 . . . . 50.0 111.677 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -74.37 -19.85 60.29 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.602 -0.686 . . . . 25.0 111.351 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.29 78.87 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.729 -0.607 . . . . 25.0 109.874 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -71.14 -29.77 65.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.106 0.479 . . . . 50.0 111.537 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -73.02 -44.76 60.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.33 -44.58 96.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 50.0 109.227 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.62 -40.65 88.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.32 -27.93 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.991 0.367 . . . . 50.0 111.991 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.169 0.509 . . . . 50.0 110.182 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.86 -30.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.221 0.534 . . . . 25.0 109.807 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -52.88 -52.02 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.358 -0.383 . . . . 50.0 111.197 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.95 -28.46 65.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.132 -0.627 . . . . 50.0 111.528 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.04 -40.96 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.935 -0.306 . . . . 50.0 110.963 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.3 -40.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.616 -0.512 . . . . 50.0 109.616 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.64 -35.05 73.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.855 -0.424 . . . . 50.0 109.855 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -114.54 38.09 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -59.34 -25.61 64.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.215 0.531 . . . . 50.0 110.208 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.49 -29.87 69.34 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.177 1.177 . . . . 50.0 114.177 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.9 m -119.59 11.1 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.56 0.695 . . . . 50.0 110.172 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -122.84 77.77 49.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.36 -19.8 49.29 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 117.053 -1.498 . . . . 50.0 113.361 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.47 -42.65 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.218 -0.66 . . . . 50.0 109.218 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.01 -25.06 6.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 115.753 -0.658 . . . . 50.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.62 -38.9 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.994 -0.441 . . . . 50.0 110.511 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.27 72.39 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.478 -0.764 . . . . 25.0 110.981 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.75 -30.73 59.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.513 -0.312 . . . . 25.0 110.334 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.42 -50.01 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.082 -1.081 . . . . 50.0 108.082 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.65 88.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.995 0.426 . . . . 25.0 111.269 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.32 -39.63 95.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.554 -0.459 . . . . 50.0 111.357 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -65.89 -42.98 89.57 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -57.02 -44.44 82.87 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.698 -0.401 . . . . 50.0 111.798 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.89 -38.99 93.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.466 0.651 . . . . 50.0 111.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.24 -37.5 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.05 -40.64 96.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.923 -0.486 . . . . 50.0 110.654 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp . . . . . 0 N--CA 1.475 0.78 0 CA-C-N 118.57 0.623 . . . . 50.0 109.845 179.492 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.188 0 N-CA-C 111.281 -0.728 . . . . 50.0 111.281 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -69.37 -32.87 72.19 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.218 -0.577 . . . . 50.0 111.735 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.76 -26.64 25.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 120.466 -0.494 . . . . 50.0 110.491 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.49 -39.01 93.31 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.8 -0.563 . . . . 50.0 110.009 174.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -59.02 -19.33 42.76 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.694 1.368 . . . . 50.0 114.694 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.64 -13.92 23.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.822 0.283 . . . . 50.0 111.431 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -87.32 93.95 9.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.18 -30.96 62.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.255 1.206 . . . . 50.0 114.255 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -69.25 -37.66 78.05 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.802 -0.561 . . . . 50.0 111.591 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -69.78 -42.78 73.34 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.195 -1.039 . . . . 50.0 108.195 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -57.31 -34.99 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-N 115.205 -0.907 . . . . 50.0 110.932 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HG2' ' HZ3' ' A' ' 16' ' ' LYS . 73.5 mt-10 -54.67 -49.91 69.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.746 1.157 . . . . 50.0 112.687 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.22 -37.06 72.07 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.363 -0.535 . . . . 50.0 109.904 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.53 -28.72 69.84 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.935 0.717 . . . . 50.0 112.935 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HZ3' ' HG2' ' A' ' 13' ' ' GLU . 72.4 mttt -54.64 -45.29 73.75 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.311 -0.996 . . . . 50.0 108.311 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.94 -38.91 20.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.775 . . . . 50.0 111.735 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.15 80.49 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -38.3 82.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.337 0.589 . . . . 75.0 109.815 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -73.68 -28.94 62.01 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -63.19 -22.61 66.98 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.349 0.522 . . . . 25.0 112.151 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -16.75 34.27 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.103 0.409 . . . . 50.0 112.103 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.24 -1.3 50.2 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.609 -0.329 . . . . 50.0 113.357 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.2 t -80.27 118.58 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.944 -1.132 . . . . 50.0 107.944 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -83.55 84.3 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.984 -0.553 . . . . 50.0 111.575 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.12 154.57 37.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.897 -1.89 . . . . 50.0 105.897 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -87.45 164.18 16.32 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.987 -1.116 . . . . 50.0 107.987 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.33 -39.51 83.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.053 -0.721 . . . . 50.0 109.053 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.74 67.62 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.528 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -86.03 -45.87 11.04 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.93 -0.308 . . . . 50.0 110.252 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -50.83 28.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.948 0.721 . . . . 75.0 112.948 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.97 -24.82 67.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.214 -0.594 . . . . 50.0 112.072 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.35 -39.26 89.94 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.921 -0.487 . . . . 50.0 110.773 173.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.05 -23.85 43.99 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.721 -0.612 . . . . 50.0 111.933 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -66.3 -34.11 77.26 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.143 -0.688 . . . . 50.0 109.143 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -35.87 80.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.204 0.525 . . . . 50.0 109.902 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 50.0 112.719 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -28.42 36.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 119.664 -0.814 . . . . 50.0 109.657 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -69.72 -38.15 76.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.58 -0.896 . . . . 50.0 108.58 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.07 -49.57 64.66 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.036 -0.984 . . . . 50.0 111.197 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -70.11 -34.03 72.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.393 0.616 . . . . 25.0 112.235 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.18 79.62 72.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.425 -0.352 . . . . 50.0 111.693 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.66 -18.07 42.59 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.482 -0.545 . . . . 50.0 112.961 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -15.31 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.619 0.6 . . . . 50.0 112.619 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.92 -51.16 15.42 Favored Pre-proline 0 CA--C 1.541 0.616 0 O-C-N 121.476 -0.765 . . . . 50.0 112.436 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -69.62 -20.81 35.03 Favored 'Trans proline' 0 C--N 1.356 0.957 1 C-N-CA 113.091 -4.139 . . . . 50.0 112.954 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.42 -38.42 89.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.209 0.204 . . . . 50.0 111.359 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 55' ' ' ARG . 20.5 pt-20 -86.58 -26.02 24.68 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.831 -0.543 . . . . 50.0 110.366 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.5 29.75 54.29 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.64 1.416 . . . . 50.0 116.64 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -121.11 130.9 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.79 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 123.969 1.842 . . . . 50.0 109.805 -172.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -98.55 151.84 20.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 105.25 -2.13 . . . . 75.0 105.25 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.06 -29.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.26 -1.015 . . . . 50.0 108.26 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -67.55 -34.06 76.29 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.235 -0.291 . . . . 50.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' A' ' 48' ' ' GLU . 21.2 mtt85 -77.76 -35.27 51.88 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.09 -0.707 . . . . 50.0 109.09 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -61.65 -28.36 69.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.469 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -57.3 -45.32 84.26 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -63.47 -26.75 68.87 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 113.566 0.95 . . . . 50.0 113.566 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.61 -38.42 80.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.88 56.85 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.703 -0.68 . . . . 50.0 111.454 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.75 -39.4 91.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.55 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 50.0 111.682 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.8 -37.6 84.99 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.191 -0.604 . . . . 50.0 109.428 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -67.93 -42.54 80.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.643 0.238 . . . . 50.0 111.643 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.13 -48.99 79.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.071 0.938 . . . . 50.0 109.316 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.51 97.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.376 -0.829 . . . . 50.0 110.491 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.85 -44.18 77.77 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.348 0.87 . . . . 50.0 113.348 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.11 70.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.707 -0.621 . . . . 50.0 112.086 -172.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.7 m -66.13 -42.25 89.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -127.27 2.17 6.38 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.437 2.014 . . . . 50.0 116.437 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 -165.63 53.2 Favored Glycine 0 C--O 1.244 0.72 0 C-N-CA 120.585 -0.817 . . . . 50.0 114.853 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.63 -11.49 29.79 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 121.899 1.733 . . . . 50.0 115.473 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -75.89 -22.84 55.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 50.0 111.099 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -99.61 -42.33 6.94 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.81 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 106.471 -1.677 . . . . 50.0 106.471 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -76.11 150.07 33.08 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 114.45 -3.233 . . . . 50.0 112.763 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.35 -20.54 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.274 0.559 . . . . 50.0 110.795 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -74.34 -17.74 60.79 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.704 -0.623 . . . . 25.0 111.18 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.98 78.12 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 120.316 -0.554 . . . . 25.0 109.531 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -70.62 -30.8 67.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.509 . . . . 50.0 111.413 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -73.46 -43.42 60.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.18 -43.81 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 50.0 109.218 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -59.59 -39.11 83.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.556 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.17 -26.15 67.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.889 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.94 -45.88 76.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.282 -1.007 . . . . 50.0 108.282 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.42 -30.28 22.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.313 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -53.96 -52.38 60.88 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -71.57 -25.64 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.789 -0.765 . . . . 50.0 111.825 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.1 -42.43 89.3 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.093 -0.379 . . . . 50.0 111.703 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.2 mt -78.37 -40.72 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 109.261 -0.644 . . . . 50.0 109.261 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.96 -35.35 74.77 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.93 0.395 . . . . 50.0 110.367 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -113.98 34.2 4.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.863 0.32 . . . . 50.0 111.863 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -62.42 -23.2 66.73 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.409 0.623 . . . . 50.0 109.715 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.3 -29.38 69.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.197 1.184 . . . . 50.0 114.197 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.0 7.67 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.296 0.57 . . . . 50.0 110.632 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -125.82 77.86 69.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.318 -0.993 . . . . 50.0 108.318 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.7 -22.66 37.11 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.1 -1.467 . . . . 50.0 114.859 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.09 -39.63 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.207 0.527 . . . . 50.0 109.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.89 -25.69 6.89 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.03 -0.532 . . . . 50.0 109.657 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.19 -37.95 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 50.0 110.387 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.249 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.8 -32.07 59.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.73 -49.74 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.6 98.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.371 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -62.79 -36.78 84.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.78 -0.368 . . . . 50.0 111.961 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -67.37 -35.56 79.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.64 -43.4 98.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.982 -0.449 . . . . 50.0 110.444 175.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.9 -44.18 97.33 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.168 0.508 . . . . 50.0 110.973 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.84 -36.42 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.215 -0.448 . . . . 50.0 110.02 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.59 -38.18 83.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.904 -0.497 . . . . 50.0 111.634 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp . . . . . 0 N--CA 1.471 0.587 0 O-C-N 121.748 -0.595 . . . . 50.0 111.861 174.574 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.136 0 CA-C-O 120.465 -0.075 . . . . 50.0 112.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.91 -37.49 78.99 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -37.46 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.619 0.724 . . . . 50.0 109.918 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.45 -41.52 76.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.984 -0.448 . . . . 50.0 111.269 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -70.72 -12.12 61.36 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.504 0.928 . . . . 50.0 113.504 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.82 -24.36 19.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -83.83 88.82 7.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.456 0.646 . . . . 50.0 109.816 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.26 -38.37 12.31 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.638 2.088 . . . . 50.0 116.638 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -66.65 -28.26 68.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.497 -0.752 . . . . 50.0 112.577 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -76.23 -38.19 56.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.958 -0.756 . . . . 50.0 108.958 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -58.25 -36.05 56.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 108.47 -0.937 . . . . 50.0 108.47 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -55.81 -47.3 77.39 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.8 -39.31 66.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.278 0.561 . . . . 50.0 110.107 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.84 -23.57 65.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.787 0.662 . . . . 50.0 112.787 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -57.42 -44.04 84.29 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.591 -1.263 . . . . 50.0 107.591 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -69.26 -45.98 68.4 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.118 -0.946 . . . . 50.0 109.572 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.81 96.51 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -41.29 98.95 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.53 -43.04 70.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.301 0.852 . . . . 50.0 113.301 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 p -66.24 -27.34 67.89 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -71.11 -21.25 62.23 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.533 -0.467 . . . . 50.0 110.584 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.48 80.84 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 121.528 -0.368 . . . . 50.0 112.989 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -97.94 121.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 -176.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.81 84.38 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.641 . . . . 50.0 111.592 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.84 161.71 38.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.676 -1.231 . . . . 50.0 107.676 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.08 146.75 24.39 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.996 -1.112 . . . . 50.0 107.996 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.33 -49.51 43.84 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 112.074 0.398 . . . . 50.0 112.074 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.03 68.21 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.03 -22.99 26.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.888 0.329 . . . . 50.0 111.888 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -52.77 5.95 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.2 0.455 . . . . 50.0 110.631 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.02 -19.97 61.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.161 0.43 . . . . 50.0 112.161 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.13 -39.95 63.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.241 0.543 . . . . 50.0 110.628 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -82.06 -23.92 35.57 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.199 -0.313 . . . . 50.0 111.755 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.42 -20.85 62.06 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 174.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -35.56 21.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.795 -0.566 . . . . 50.0 110.242 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.7 -35.74 77.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.96 -31.85 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 122.029 -0.419 . . . . 50.0 110.986 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.81 -35.04 78.61 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.723 -0.611 . . . . 50.0 111.859 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.36 -52.22 29.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 50.0 110.914 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -70.19 -28.34 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.622 0.725 . . . . 25.0 112.408 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -132.16 78.68 68.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 50.0 111.431 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.22 -14.82 31.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-O 121.727 0.636 . . . . 50.0 112.362 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -16.95 48.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.639 . . . . 50.0 111.884 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.38 -51.67 59.0 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.004 -0.435 . . . . 50.0 111.883 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -71.58 -23.42 23.23 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 113.707 -3.729 . . . . 50.0 114.1 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -39.65 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.876 0.324 . . . . 50.0 111.876 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.506 ' CD ' HH12 ' A' ' 55' ' ' ARG . 40.8 mt-10 -77.5 -20.44 54.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.063 -0.718 . . . . 50.0 109.063 176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.29 27.95 58.44 Favored Glycine 0 C--O 1.227 -0.289 0 N-CA-C 116.397 1.319 . . . . 50.0 116.397 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -126.75 131.82 51.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.71 103.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.573 1.177 . . . . 50.0 110.006 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.91 164.16 33.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.314 -2.106 . . . . 50.0 105.314 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -65.75 -31.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 112.712 0.634 . . . . 50.0 112.712 -171.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -70.85 -25.27 62.75 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.781 -0.574 . . . . 50.0 109.974 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.506 HH12 ' CD ' ' A' ' 48' ' ' GLU . 58.9 mtt-85 -85.33 -37.93 19.37 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.659 0.266 . . . . 50.0 110.642 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -63.84 -36.34 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.676 0.621 . . . . 50.0 112.676 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -64.31 -34.48 78.23 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.189 -0.604 . . . . 50.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -60.05 -27.76 67.21 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.687 -0.688 . . . . 50.0 112.783 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.59 -36.75 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.15 -36.92 72.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.775 -0.93 . . . . 50.0 110.775 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.26 -40.68 97.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.796 -1.186 . . . . 25.0 107.796 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -43.42 95.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.659 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.19 -34.99 78.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.827 -0.434 . . . . 50.0 109.827 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.05 -45.14 93.65 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -73.14 -33.53 65.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.351 0.596 . . . . 50.0 111.417 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.07 -39.46 94.13 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.158 -1.052 . . . . 50.0 108.158 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.07 -41.06 78.06 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.136 -0.484 . . . . 50.0 110.963 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -59.44 -23.9 63.07 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.185 -0.322 . . . . 50.0 111.534 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.7 m -64.65 -55.96 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.4 12.02 6.95 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.47 2.026 . . . . 50.0 116.47 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.46 -151.05 37.54 Favored Glycine 0 C--O 1.243 0.685 0 C-N-CA 120.609 -0.805 . . . . 50.0 111.775 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.3 -11.57 32.38 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 118.607 1.204 . . . . 50.0 114.33 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.02 -22.03 62.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.0 110.516 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -95.22 -38.37 10.6 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.4 t -134.34 130.95 20.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 106.975 -1.491 . . . . 50.0 106.975 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.52 147.69 41.29 Favored 'Trans proline' 0 CA--C 1.517 -0.344 0 C-N-CA 114.136 -3.443 . . . . 50.0 110.755 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.58 -21.39 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.639 -0.663 . . . . 50.0 111.721 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -71.49 -23.58 61.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 121.512 -0.742 . . . . 25.0 111.186 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.72 81.37 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 119.982 -0.687 . . . . 25.0 110.421 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -69.65 -31.64 69.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.406 0.622 . . . . 50.0 110.944 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -72.29 -43.42 64.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -64.43 -39.41 93.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.075 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -61.06 -38.59 86.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.463 -0.335 . . . . 50.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 50.0 111.778 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.74 -44.47 77.47 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.13 -29.61 29.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.231 -0.988 . . . . 25.0 108.687 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -58.38 -50.97 71.78 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.57 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -67.86 -30.14 69.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 120.572 -0.451 . . . . 50.0 110.785 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.6 -41.17 76.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.55 -39.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.38 -29.59 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 50.0 111.065 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -117.65 33.28 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.407 0.521 . . . . 50.0 112.407 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.56 -21.76 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.239 0.543 . . . . 50.0 109.617 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.06 -29.01 70.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.63 0.974 . . . . 50.0 113.63 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.34 10.02 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.275 0.56 . . . . 50.0 111.116 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -125.01 86.12 57.05 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.773 -0.455 . . . . 50.0 109.773 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.12 -22.57 40.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 N-CA-C 114.92 1.085 . . . . 50.0 114.92 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -65.33 -47.4 76.63 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.21 -30.86 12.9 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 C-N-CA 119.281 -0.967 . . . . 50.0 110.178 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -57.64 -42.06 82.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.562 0.619 . . . . 50.0 110.791 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.4 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.517 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.59 58.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.99 -49.79 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 107.877 -1.157 . . . . 50.0 107.877 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.59 96.86 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.96 -36.43 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.075 0.398 . . . . 50.0 112.075 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -67.78 -39.73 84.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.08 -39.7 93.34 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.265 -0.272 . . . . 50.0 110.675 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.01 -47.39 74.63 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.005 0.431 . . . . 50.0 111.943 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.34 -34.8 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.975 -0.38 . . . . 50.0 109.975 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.2 -32.62 72.38 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 118.094 0.406 . . . . 50.0 111.39 176.425 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.559 0 N-CA-C 110.801 -0.92 . . . . 50.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -67.12 -24.34 65.92 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 122.533 -0.392 . . . . 50.0 111.81 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -85.5 -44.28 12.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.457 0.646 . . . . 50.0 111.606 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.79 -40.66 97.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.331 -0.395 . . . . 50.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -59.24 -21.45 59.58 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 116.157 1.91 . . . . 50.0 116.157 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -91.79 -19.66 22.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.017 0.826 . . . . 50.0 110.337 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.17 91.4 7.69 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.09 -32.14 63.88 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.583 0.957 . . . . 50.0 113.583 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.26 -37.27 69.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.514 0.673 . . . . 50.0 110.932 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -82.6 -43.16 17.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.563 -0.744 . . . . 50.0 110.145 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.35 -43.93 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.148 0.425 . . . . 50.0 112.148 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.21 -38.92 88.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.558 0.617 . . . . 50.0 111.088 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.23 71.93 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.248 -1.019 . . . . 50.0 108.248 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -23.44 66.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.458 0.54 . . . . 50.0 112.458 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.0 -30.29 70.85 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.5 -48.36 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.71 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -39.6 90.6 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.949 -0.469 . . . . 75.0 110.716 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -76.5 -38.09 55.78 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.3 p -67.53 -19.8 65.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -73.41 -18.53 61.14 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 120.271 -0.571 . . . . 50.0 110.439 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 -0.49 83.78 Favored Glycine 0 CA--C 1.517 0.188 0 CA-C-O 121.836 0.687 . . . . 50.0 112.405 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.27 132.6 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.293 -1.003 . . . . 50.0 108.293 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -82.48 84.48 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 50.0 108.713 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 146.73 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.527 0.68 . . . . 50.0 110.17 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -85.68 132.56 34.13 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.874 -1.528 . . . . 50.0 106.874 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -49.1 69.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.645 0.609 . . . . 50.0 112.645 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.42 76.0 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.961 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -75.09 -38.17 61.3 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 120.882 -0.327 . . . . 50.0 111.14 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -49.41 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.557 -0.857 . . . . 50.0 109.671 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.05 -34.17 69.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.471 -0.786 . . . . 50.0 112.678 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -26.41 68.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.502 -0.749 . . . . 50.0 112.732 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -76.23 -26.57 56.19 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.544 -0.722 . . . . 50.0 109.871 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -72.79 -28.7 62.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.47 -35.7 68.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.04 -30.35 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.842 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -60.93 -50.72 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.229 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -65.72 -40.54 92.3 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.466 -0.894 . . . . 50.0 111.424 -170.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -24.93 64.04 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 m -97.2 -34.07 11.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.361 0.6 . . . . 25.0 112.347 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -121.59 78.32 37.71 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 123.541 0.736 . . . . 50.0 110.072 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -70.66 -18.47 32.75 Favored 'Trans proline' 0 C--O 1.223 -0.257 0 C-N-CA 118.075 -0.816 . . . . 50.0 113.18 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -23.87 48.59 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.782 0.66 . . . . 50.0 112.782 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.32 -51.78 71.12 Favored Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 113.541 0.941 . . . . 50.0 113.541 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -68.88 -22.72 35.92 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 113.019 -4.188 . . . . 50.0 113.307 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -15.63 62.63 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.43 0.53 . . . . 50.0 112.43 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.27 -19.09 58.64 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.53 21.08 40.71 Favored Glycine 0 C--O 1.222 -0.597 0 N-CA-C 115.187 0.835 . . . . 50.0 115.187 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -134.26 132.62 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.562 0.681 . . . . 25.0 110.554 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -110.78 114.59 47.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 122.408 1.099 . . . . 50.0 109.126 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.37 162.57 39.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 106.988 -1.486 . . . . 50.0 106.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 -30.04 49.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 111.384 0.142 . . . . 50.0 111.384 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -70.77 -34.35 71.73 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.86 -0.525 . . . . 50.0 109.69 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.08 -39.86 65.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.784 -0.821 . . . . 50.0 108.784 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.15 -27.26 68.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 50.0 112.377 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -52.56 -50.13 63.55 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 120.98 0.419 . . . . 50.0 110.605 176.026 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.93 -28.85 54.2 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 114.556 -1.202 . . . . 50.0 113.419 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -71.12 -42.75 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 50.0 110.624 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -35.63 49.21 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.487 -1.045 . . . . 50.0 110.487 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.0 -39.42 94.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -50.02 73.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.826 -0.624 . . . . 50.0 110.958 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -59.79 -36.51 76.88 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.113 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.73 -48.11 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.384 0.142 . . . . 50.0 111.384 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -74.29 -29.95 61.87 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.03 -0.668 . . . . 50.0 111.289 -178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.53 -38.92 84.94 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.37 -0.377 . . . . 50.0 110.234 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -64.24 -32.5 74.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.995 -0.44 . . . . 50.0 110.597 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -82.87 -42.09 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -118.27 0.31 11.68 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.198 1.925 . . . . 50.0 116.198 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.8 -178.65 48.12 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 116.722 1.449 . . . . 50.0 116.722 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.48 -16.4 34.54 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.09 1.86 . . . . 50.0 113.75 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -70.76 -19.86 62.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 50.0 110.173 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -110.23 -33.33 6.68 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 113.396 0.887 . . . . 50.0 113.396 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.47 131.03 24.54 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.076 -1.453 . . . . 50.0 107.076 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.28 149.56 19.47 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 114.865 -2.957 . . . . 50.0 112.443 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.18 -20.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 50.0 110.783 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -72.5 -18.5 61.66 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.626 -0.671 . . . . 25.0 111.314 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.83 83.89 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.182 -0.607 . . . . 25.0 109.469 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.88 -32.87 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.247 0.546 . . . . 50.0 111.023 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -69.89 -45.64 67.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.925 -0.769 . . . . 50.0 108.925 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.22 -43.93 96.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.021 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -55.15 -39.49 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.863 0.363 . . . . 50.0 111.283 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.05 -34.89 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.275 -0.42 . . . . 50.0 111.577 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tt -63.82 -38.6 91.7 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.948 0.404 . . . . 50.0 110.465 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.16 -30.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 121.162 -0.962 . . . . 25.0 108.873 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -58.96 -44.41 91.47 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.569 -0.707 . . . . 50.0 110.21 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.34 -30.37 69.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.843 0.747 . . . . 50.0 110.371 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.0 -38.6 82.81 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.122 -0.231 . . . . 50.0 111.435 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.63 -41.75 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 50.0 109.696 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.89 -40.49 84.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.203 0.525 . . . . 50.0 109.695 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.88 38.79 2.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 112.601 0.593 . . . . 50.0 112.601 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -64.22 -18.14 64.23 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.228 0.537 . . . . 50.0 109.603 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.7 -32.16 72.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.153 0.797 . . . . 50.0 113.153 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.98 7.9 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.661 0.743 . . . . 50.0 110.188 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -123.17 79.48 52.18 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.13 -20.4 33.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 117.778 -1.015 . . . . 50.0 114.666 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -69.61 -42.03 74.93 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.921 -0.77 . . . . 50.0 108.921 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 m -78.1 -25.17 14.1 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 O-C-N 121.06 -1.025 . . . . 50.0 110.21 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -36.7 80.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.865 -0.42 . . . . 50.0 109.865 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.76 74.59 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.012 -0.43 . . . . 25.0 110.604 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.2 61.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 122.123 -0.361 . . . . 25.0 110.548 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.57 -48.4 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.543 -1.28 . . . . 50.0 107.543 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.61 78.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.025 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.36 -37.75 88.5 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.768 0.655 . . . . 50.0 112.768 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.9 m -64.07 -42.55 96.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -61.03 -42.62 98.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.415 -0.514 . . . . 50.0 112.13 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.11 -45.51 92.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.145 0.498 . . . . 50.0 109.984 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.11 -42.96 88.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 109.553 -0.536 . . . . 50.0 109.553 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.78 -40.88 96.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.286 0.494 . . . . 50.0 111.843 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.5 mttt . . . . . 0 C--N 1.324 -0.515 0 CA-C-O 121.079 0.466 . . . . 50.0 110.074 179.316 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 113.834 0.294 . . . . 50.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -63.63 -40.68 97.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.129 0.465 . . . . 50.0 110.003 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.84 -37.57 82.07 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 110.205 -0.294 . . . . 50.0 110.205 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.21 -38.3 88.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.127 -0.983 . . . . 50.0 111.918 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -73.67 -25.11 60.1 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -78.04 -30.02 49.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.933 0.873 . . . . 50.0 109.922 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.27 85.11 3.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.626 -0.715 . . . . 50.0 109.761 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.74 -37.23 50.24 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.488 0.922 . . . . 50.0 113.488 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -61.44 -28.5 69.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.093 0.775 . . . . 50.0 113.093 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -84.5 -41.87 16.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.56 -0.904 . . . . 50.0 108.56 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.23 -37.65 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.81 -0.632 . . . . 50.0 111.32 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 52.6 mm-40 -52.25 -41.64 62.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.331 0.493 . . . . 50.0 112.331 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -41.16 17.33 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -32.06 73.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -173.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 56.7 pttt -66.69 -29.15 69.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 121.393 -0.817 . . . . 50.0 110.385 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.26 -38.81 63.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.34 91.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.94 -0.475 . . . . 25.0 110.891 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -41.36 90.53 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.05 -46.91 69.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.353 0.501 . . . . 50.0 112.353 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -68.26 -18.43 64.54 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -22.91 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.995 -0.372 . . . . 50.0 109.995 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.61 5.48 89.9 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 111.672 -0.571 . . . . 50.0 111.672 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.88 107.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.14 84.26 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.155 0.502 . . . . 50.0 111.037 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -126.16 135.44 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.438 -2.43 . . . . 50.0 104.438 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -72.03 157.05 38.52 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.926 -0.484 . . . . 50.0 110.399 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.2 -43.87 74.8 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 112.531 0.567 . . . . 50.0 112.531 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.11 71.58 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 123.273 0.358 . . . . 25.0 111.228 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -77.67 -46.85 20.75 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.898 -0.408 . . . . 50.0 109.898 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -51.42 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.032 -0.667 . . . . 50.0 111.727 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.3 -19.9 65.72 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.995 0.739 . . . . 50.0 112.995 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -62.32 -31.26 71.85 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 119.217 -0.993 . . . . 50.0 110.482 175.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -76.4 -23.89 54.04 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.994 -1.066 . . . . 50.0 110.832 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -76.51 -22.36 54.55 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 107.263 -1.384 . . . . 50.0 107.263 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.23 -34.98 36.76 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.524 -0.735 . . . . 50.0 109.052 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.46 -38.17 90.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.534 -0.757 . . . . 50.0 111.998 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.54 -31.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.578 -0.701 . . . . 50.0 111.23 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.9 -42.04 97.23 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.271 -0.893 . . . . 50.0 108.891 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.75 -53.14 19.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.605 -0.725 . . . . 50.0 112.065 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -72.03 -27.54 62.78 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.476 0.655 . . . . 25.0 112.492 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 63.1 m -125.29 78.43 67.35 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 50.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.57 -14.65 37.02 Favored 'Trans proline' 0 C--N 1.346 0.395 0 CA-C-O 122.041 0.767 . . . . 50.0 111.897 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -14.68 57.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 50.0 112.516 175.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.26 -53.21 33.17 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 118.328 0.513 . . . . 50.0 111.092 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.26 -21.23 27.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.47 -3.887 . . . . 50.0 113.55 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.6 -37.86 87.81 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.27 -0.269 . . . . 50.0 111.319 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 56.96 33.87 64.61 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 116.228 -0.442 . . . . 50.0 113.73 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.3 m -123.97 126.23 45.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.802 -1.185 . . . . 25.0 107.802 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.1 mt -122.31 103.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.714 1.245 . . . . 50.0 109.943 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.54 165.58 27.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 103.681 -2.711 . . . . 50.0 103.681 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.66 -30.56 50.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 117.725 0.238 . . . . 50.0 111.462 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -69.13 -31.89 70.88 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.472 -0.768 . . . . 50.0 110.215 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -76.25 -41.35 49.38 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -67.43 -30.1 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.322 0.49 . . . . 50.0 112.322 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -61.6 -41.28 97.23 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.957 -0.464 . . . . 50.0 110.448 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -62.1 -25.06 67.5 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 114.258 1.207 . . . . 50.0 114.258 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.24 -39.93 79.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.02 -36.14 64.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.482 -0.866 . . . . 50.0 110.989 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -60.18 -40.68 90.86 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 25.0 107.968 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -42.84 93.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 50.0 112.216 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -63.68 -37.08 85.99 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.21 -40.55 86.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.618 0.246 . . . . 50.0 110.713 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -63.18 -47.51 82.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.907 0.861 . . . . 50.0 109.493 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.52 -38.83 92.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.389 0.614 . . . . 50.0 110.223 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -65.79 -45.59 81.87 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.616 0.599 . . . . 50.0 112.616 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -29.61 70.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.533 0.568 . . . . 50.0 112.533 -172.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -60.16 -43.05 96.09 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.23 -5.64 6.04 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 117.355 2.354 . . . . 50.0 117.355 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.32 -161.99 39.72 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.795 -0.717 . . . . 50.0 112.446 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -70.05 -9.8 26.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.226 1.284 . . . . 50.0 115.383 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -75.46 -5.56 45.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -117.42 -43.25 2.83 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.124 0.416 . . . . 50.0 112.124 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.21 130.88 24.2 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 105.772 -1.936 . . . . 50.0 105.772 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.19 151.56 38.83 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.671 -3.086 . . . . 50.0 111.87 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.7 -20.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 121.876 -0.515 . . . . 50.0 110.703 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.28 -19.38 61.69 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.734 -0.604 . . . . 25.0 111.095 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.8 82.71 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.075 -0.65 . . . . 25.0 109.417 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.2 -31.28 65.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.152 0.501 . . . . 50.0 110.852 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.2 t -71.23 -43.67 66.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -63.2 -44.04 96.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -58.49 -40.38 82.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.877 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -63.78 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 50.0 111.357 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.97 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 50.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.02 -30.65 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -57.6 -45.68 85.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.03 -0.419 . . . . 50.0 110.448 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -75.1 -25.65 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.833 -0.747 . . . . 50.0 111.254 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.54 -40.34 89.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.05 -0.407 . . . . 50.0 110.497 175.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.65 -41.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.524 -0.547 . . . . 50.0 109.524 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.0 -27.32 68.23 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.086 0.47 . . . . 50.0 110.966 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -119.37 35.03 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -63.67 -19.64 65.06 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.014 0.435 . . . . 50.0 110.512 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.51 0.93 . . . . 50.0 113.51 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.59 8.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.504 0.668 . . . . 50.0 110.793 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -123.03 79.78 51.16 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.615 -0.883 . . . . 50.0 108.615 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.98 -21.45 56.75 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 117.855 -0.963 . . . . 50.0 114.336 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.61 -50.2 68.1 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 m -77.11 -27.71 16.32 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 C-N-CA 118.749 -1.18 . . . . 50.0 110.858 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.5 tpt -58.23 -42.16 85.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.234 0.47 . . . . 50.0 110.152 174.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.53 77.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.32 . . . . 25.0 110.185 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.48 56.89 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.121 -0.362 . . . . 25.0 110.479 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.15 -50.16 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.27 91.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.311 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.63 -39.41 91.2 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.47 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -69.0 -36.67 78.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.509 -0.744 . . . . 25.0 109.667 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.54 -44.03 97.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.552 -0.459 . . . . 50.0 109.929 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.12 -42.04 94.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.142 -0.349 . . . . 50.0 111.715 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.55 -38.99 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.402 -0.592 . . . . 50.0 109.402 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.27 -40.76 94.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.092 -0.38 . . . . 50.0 111.353 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.44 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 29.9 mmtp . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 112.385 0.513 . . . . 50.0 112.385 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.573 0 CA-C-O 119.977 -0.346 . . . . 50.0 113.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.69 -38.61 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.866 0.833 . . . . 50.0 110.84 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.92 -39.96 83.43 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.069 -0.394 . . . . 50.0 110.735 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.03 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.465 0.542 . . . . 50.0 112.465 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.6 -22.09 32.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.579 0.704 . . . . 50.0 110.334 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -79.39 77.02 5.96 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.18 -31.08 41.02 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.375 1.25 . . . . 50.0 114.375 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.36 -30.22 71.27 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.603 -0.685 . . . . 50.0 111.92 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -84.19 -39.87 18.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.05 -40.09 52.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 115.676 -0.693 . . . . 50.0 110.679 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -52.79 -52.16 57.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.085 0.469 . . . . 50.0 111.767 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -36.38 78.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.759 -0.46 . . . . 50.0 109.759 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.36 -23.42 66.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.958 0.725 . . . . 50.0 112.958 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -57.05 -40.25 76.44 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.501 -0.926 . . . . 50.0 108.501 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -73.08 -43.29 62.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.105 -0.952 . . . . 50.0 110.076 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.51 90.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.42 -40.2 96.54 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.531 -0.914 . . . . 75.0 108.531 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -71.36 -40.29 70.72 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 p -66.49 -21.78 66.18 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -72.47 -16.23 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.739 -0.384 . . . . 50.0 111.508 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.12 8.36 69.44 Favored Glycine 0 C--O 1.229 -0.191 0 N-CA-C 114.1 0.4 . . . . 50.0 114.1 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.72 137.89 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.48 84.29 7.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 50.0 109.919 -176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.14 157.09 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.808 -1.182 . . . . 50.0 107.808 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -104.67 152.85 21.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.86 -1.533 . . . . 50.0 106.86 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.81 -41.97 78.74 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.831 0.308 . . . . 50.0 111.831 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.5 74.48 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 111.588 0.218 . . . . 25.0 111.588 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.4 -47.67 17.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.129 0.49 . . . . 50.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.38 -49.99 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.306 0.574 . . . . 50.0 110.174 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.31 -19.9 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.22 -40.0 96.23 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -72.37 -28.63 63.14 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.702 -0.623 . . . . 50.0 111.387 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.04 -21.46 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.389 0.614 . . . . 50.0 109.564 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.83 -29.52 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.385 -0.822 . . . . 50.0 110.66 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.48 -38.09 86.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.002 -0.544 . . . . 50.0 111.481 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -41.74 92.51 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.698 -0.853 . . . . 50.0 108.698 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -40.21 95.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.049 -0.407 . . . . 50.0 111.682 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -26.19 66.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.722 0.267 . . . . 50.0 111.722 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -97.23 -29.42 13.58 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.443 0.639 . . . . 25.0 112.247 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.1 m -119.45 82.78 25.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 123.113 0.565 . . . . 50.0 110.876 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.27 -18.6 34.48 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 118.288 -0.674 . . . . 50.0 112.697 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -14.18 54.98 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.916 -0.583 . . . . 50.0 112.46 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.03 -49.17 36.86 Favored Pre-proline 0 CA--C 1.537 0.476 0 O-C-N 121.426 -0.796 . . . . 50.0 112.764 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.81 -22.87 42.32 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 113.46 -3.893 . . . . 50.0 113.049 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.77 -27.94 69.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.527 0.331 . . . . 50.0 111.452 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.76 -23.16 63.33 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.212 -0.305 . . . . 50.0 111.357 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.72 20.49 47.36 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 114.424 0.53 . . . . 50.0 114.424 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -132.96 133.13 42.77 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.545 0.338 . . . . 25.0 110.638 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -115.47 102.69 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 CA-C-O 123.666 1.698 . . . . 50.0 109.279 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -156.48 163.15 39.76 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 112.997 -1.91 . . . . 50.0 108.303 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.12 -26.0 37.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.215 -0.661 . . . . 50.0 109.215 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.91 -37.63 77.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.922 -0.399 . . . . 50.0 109.922 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -85.55 -43.98 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.05 0.453 . . . . 50.0 111.543 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -62.11 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.264 0.839 . . . . 50.0 113.264 -175.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -59.96 -40.4 88.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.832 -0.542 . . . . 50.0 111.303 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -59.29 -26.63 65.12 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 112.807 0.669 . . . . 50.0 112.807 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.55 -41.12 85.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.405 0.621 . . . . 50.0 110.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.63 53.34 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.147 -1.181 . . . . 50.0 110.147 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 -43.63 91.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 50.0 112.132 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -64.2 -36.73 85.01 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.43 -44.28 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.251 -0.278 . . . . 50.0 110.251 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -61.41 -49.96 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.84 0.828 . . . . 50.0 109.837 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.86 -34.81 78.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.083 -0.508 . . . . 50.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.76 -38.45 83.46 Favored 'General case' 0 C--O 1.214 -0.795 0 O-C-N 122.288 -0.257 . . . . 50.0 111.136 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.66 65.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.419 -0.8 . . . . 50.0 110.358 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 m -64.06 -41.19 97.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.33 -2.83 6.25 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 116.967 2.21 . . . . 50.0 116.967 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.79 -175.94 52.05 Favored Glycine 0 C--O 1.243 0.711 0 O-C-N 121.533 -0.729 . . . . 50.0 114.31 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.47 -7.62 21.62 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.104 1.869 . . . . 50.0 115.317 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.18 -19.92 61.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 50.0 110.138 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -101.54 -42.64 6.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.322 0.86 . . . . 50.0 113.322 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 80.5 t -119.05 131.17 24.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.814 -1.55 . . . . 50.0 106.814 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.42 150.03 19.35 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 115.738 -2.374 . . . . 50.0 111.833 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.49 -24.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.22 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -67.67 -21.51 65.35 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.945 -0.472 . . . . 25.0 111.581 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.2 -27.08 67.72 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.445 -0.785 . . . . 25.0 111.563 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -81.52 -30.67 33.11 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.037 -1.468 . . . . 50.0 107.037 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -69.64 -45.3 68.76 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.107 -1.406 . . . . 50.0 109.625 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.55 -43.69 93.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.774 -0.648 . . . . 50.0 109.289 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -55.65 -41.77 74.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.974 0.416 . . . . 50.0 111.717 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.28 -33.31 75.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.864 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 50.0 110.503 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.88 -30.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -56.1 -43.02 77.67 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.952 -0.467 . . . . 50.0 111.516 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.71 -24.82 38.53 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.203 -0.311 . . . . 50.0 110.949 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.04 -42.43 89.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.39 -43.28 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.769 0.319 . . . . 50.0 110.491 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.19 -38.07 82.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.4 . . . . 50.0 110.483 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -107.51 36.0 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.983 0.364 . . . . 50.0 111.983 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -60.72 -24.69 65.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.258 0.551 . . . . 50.0 110.231 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.45 -32.49 70.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.808 1.04 . . . . 50.0 113.808 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -112.87 10.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.681 0.753 . . . . 50.0 109.304 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -127.7 82.79 67.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 50.0 109.686 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.42 -17.67 43.99 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 117.628 -1.115 . . . . 50.0 113.663 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -50.96 63.75 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.734 -1.21 . . . . 50.0 107.734 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -76.84 -25.21 15.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.09 -0.644 . . . . 50.0 111.709 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -34.03 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.8 -0.563 . . . . 50.0 110.125 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.49 74.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.067 -0.396 . . . . 25.0 110.682 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -31.68 50.84 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.289 -0.257 . . . . 25.0 110.402 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.83 -51.68 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.985 -1.117 . . . . 50.0 107.985 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.79 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.881 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.79 -41.52 97.92 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.269 -0.572 . . . . 50.0 112.106 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.5 m -65.96 -42.95 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -55.67 -46.14 77.6 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 120.764 -0.374 . . . . 50.0 111.156 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.29 -30.6 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.858 0.688 . . . . 50.0 112.858 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.9 -38.44 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.045 -1.095 . . . . 50.0 108.045 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.07 -27.75 67.63 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.608 0.595 . . . . 50.0 112.608 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.629 -0.508 . . . . 50.0 109.629 179.38 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.148 0 N-CA-C 111.108 -0.797 . . . . 50.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.72 -27.71 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.448 -0.442 . . . . 50.0 110.871 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -78.18 -38.38 43.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.723 0.773 . . . . 50.0 109.856 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.96 -36.47 84.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.696 0.628 . . . . 50.0 112.696 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -68.16 -13.45 62.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.086 1.143 . . . . 50.0 114.086 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -113.66 -3.3 13.59 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.001 0.429 . . . . 50.0 111.74 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -85.91 92.51 8.68 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 105.831 -1.914 . . . . 50.0 105.831 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -53.91 -34.71 60.34 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.384 1.253 . . . . 50.0 114.384 -172.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -56.36 -38.94 72.09 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.015 -0.428 . . . . 50.0 111.823 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -77.49 -39.74 45.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.408 0.623 . . . . 50.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.3 -38.02 66.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 115.639 -0.709 . . . . 50.0 109.599 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HG2' ' HZ1' ' A' ' 16' ' ' LYS . 38.1 mt-10 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.924 -0.711 . . . . 50.0 109.754 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.74 -23.55 63.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HZ1' ' HG2' ' A' ' 13' ' ' GLU . 90.9 mttt -56.32 -40.94 75.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 106.686 -1.598 . . . . 50.0 106.686 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -83.81 -44.84 13.94 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 115.625 -0.716 . . . . 50.0 112.306 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.3 89.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.36 -39.59 92.51 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.5 -41.32 80.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -69.89 -23.27 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.189 0.45 . . . . 25.0 111.96 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -71.6 -21.71 61.82 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.044 -0.662 . . . . 50.0 109.458 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.66 16.77 78.7 Favored Glycine 0 C--O 1.228 -0.275 0 C-N-CA 121.377 -0.439 . . . . 50.0 114.0 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.18 128.86 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -77.04 84.32 3.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.89 0.376 . . . . 50.0 110.907 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -119.33 135.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -74.7 145.23 43.29 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 106.71 -1.589 . . . . 50.0 106.71 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.82 -43.53 69.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.907 -0.496 . . . . 50.0 112.011 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.39 77.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.84 -40.6 68.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 121.015 -0.274 . . . . 50.0 111.305 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.97 -54.78 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 50.0 110.686 -176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -19.85 66.08 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.221 0.823 . . . . 50.0 113.221 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -60.15 -35.04 74.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.628 -0.67 . . . . 50.0 109.96 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.89 -25.14 55.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.808 -0.557 . . . . 50.0 111.996 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.95 -32.38 69.24 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 108.17 -1.048 . . . . 50.0 108.17 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -38.82 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.687 0.756 . . . . 50.0 110.967 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.17 -30.26 69.21 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.05 -27.7 38.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 119.946 -0.702 . . . . 50.0 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -66.08 -43.27 87.82 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.002 0.742 . . . . 50.0 113.002 -169.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.61 -32.87 73.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.172 0.51 . . . . 50.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -77.28 -37.99 51.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.335 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -124.55 79.66 61.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 123.181 0.592 . . . . 50.0 110.42 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.37 -22.72 33.47 Favored 'Trans proline' 0 C--O 1.222 -0.324 0 CA-C-O 121.216 0.423 . . . . 50.0 112.529 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -15.04 60.04 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.898 0.703 . . . . 50.0 112.898 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -64.46 -52.99 49.05 Favored Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.689 -0.632 . . . . 50.0 112.318 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.07 -20.88 24.68 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 113.628 -3.782 . . . . 50.0 114.386 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.38 -34.72 78.98 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.957 0.408 . . . . 50.0 111.005 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.21 -16.56 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 50.0 110.853 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.45 23.5 48.95 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 116.587 1.395 . . . . 50.0 116.587 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.4 m -134.92 138.0 43.68 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mm -116.57 115.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.354 1.073 . . . . 50.0 109.264 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -154.8 168.9 25.34 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.665 -1.152 . . . . 50.0 108.04 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.72 -38.71 80.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 C-N-CA 120.454 -0.498 . . . . 50.0 111.419 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -61.04 -34.44 74.87 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.155 0.434 . . . . 50.0 111.884 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -78.47 -34.97 47.25 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.183 0.447 . . . . 50.0 110.058 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -64.94 -28.66 69.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -61.51 -48.3 81.69 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.54 -29.08 58.28 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 113.954 -1.475 . . . . 50.0 113.074 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.79 -41.36 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.451 0.643 . . . . 50.0 109.577 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -36.44 67.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.645 -0.982 . . . . 50.0 110.645 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -38.24 89.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.04 93.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 50.0 111.606 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.81 -39.41 94.18 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -65.41 -39.19 91.85 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 116.551 -0.295 . . . . 50.0 111.286 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.86 -50.21 74.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.986 0.898 . . . . 50.0 109.931 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -32.32 73.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.534 -0.757 . . . . 50.0 109.935 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.03 -38.33 69.58 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.113 -0.494 . . . . 50.0 112.201 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -32.04 67.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.267 -0.896 . . . . 50.0 109.417 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.1 m -66.22 -42.99 87.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.448 -0.796 . . . . 25.0 113.041 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.23 3.64 6.38 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.543 2.423 . . . . 50.0 117.543 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.72 -167.31 54.48 Favored Glycine 0 C--O 1.247 0.924 0 O-C-N 121.573 -0.704 . . . . 50.0 114.061 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -70.96 -10.15 27.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 121.091 1.194 . . . . 50.0 113.503 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.63 -25.12 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.448 0.642 . . . . 50.0 110.243 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -107.14 -42.28 4.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.378 1.251 . . . . 50.0 114.378 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.0 t -122.81 131.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.48 148.79 26.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 115.712 -2.392 . . . . 50.0 112.659 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.46 -21.23 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.945 -0.472 . . . . 50.0 111.722 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.7 t -70.12 -22.63 62.99 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.542 -0.724 . . . . 25.0 110.985 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.41 87.15 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 119.922 -0.711 . . . . 25.0 109.957 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -72.03 -32.65 67.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.513 0.673 . . . . 50.0 110.897 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.77 -46.68 68.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.2 -40.3 93.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 50.0 110.444 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -58.11 -39.11 77.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 50.0 111.231 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -64.74 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.472 -0.331 . . . . 50.0 111.678 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.87 -38.08 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.33 0.586 . . . . 50.0 110.073 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.87 -31.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.601 -0.687 . . . . 25.0 109.264 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -58.14 -46.85 84.92 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.152 -0.343 . . . . 50.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.53 . . . . 50.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.95 -41.28 74.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.037 -0.414 . . . . 50.0 111.663 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.5 mt -74.09 -40.86 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.16 -0.682 . . . . 50.0 109.16 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.87 -35.48 74.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 50.0 110.858 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -111.01 30.88 6.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.44 . . . . 50.0 112.103 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -59.75 -26.29 65.56 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -62.91 -35.65 80.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.477 0.547 . . . . 50.0 112.477 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -106.15 7.63 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.267 0.556 . . . . 50.0 111.361 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -125.18 78.53 66.82 Favored Pre-proline 0 N--CA 1.469 0.492 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -66.78 -18.61 53.2 Favored 'Trans proline' 0 C--N 1.346 0.418 0 N-CA-C 114.659 0.984 . . . . 50.0 114.659 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -63.29 -46.39 86.95 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.515 -0.92 . . . . 50.0 108.515 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.9 -27.86 6.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.856 -0.611 . . . . 50.0 110.565 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -38.83 85.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.637 -0.664 . . . . 50.0 111.236 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.77 71.18 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.406 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.43 -32.25 58.35 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.992 -0.443 . . . . 25.0 109.819 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.5 -47.68 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 107.556 -1.276 . . . . 50.0 107.556 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.37 90.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.151 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.19 -36.05 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.154 0.427 . . . . 50.0 112.154 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -63.21 -41.78 99.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.06 -41.62 96.96 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.024 -0.423 . . . . 50.0 111.812 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.03 -45.97 91.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.374 0.607 . . . . 50.0 110.534 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.04 -38.08 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.42 -37.1 79.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.88 0.696 . . . . 50.0 112.88 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.617 -0.677 . . . . 50.0 110.615 176.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 N-CA-C 112.848 -0.101 . . . . 50.0 112.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -39.37 82.84 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.451 -0.44 . . . . 50.0 111.089 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -75.38 -39.92 58.59 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.025 0.916 . . . . 50.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.42 -35.22 73.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.96 -0.563 . . . . 50.0 110.903 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -76.7 -6.96 54.31 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.565 0.95 . . . . 50.0 113.565 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -99.06 -24.03 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.495 -0.557 . . . . 50.0 109.495 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -79.04 103.56 9.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.739 0.304 . . . . 50.0 111.667 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.87 -43.73 6.52 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.358 1.984 . . . . 50.0 116.358 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -74.21 -37.6 63.84 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.473 -0.767 . . . . 50.0 111.773 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.23 -41.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 50.0 110.077 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -45.9 90.9 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.563 0.62 . . . . 50.0 111.567 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -61.67 -41.24 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.186 0.517 . . . . 50.0 110.103 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.45 -23.72 63.71 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -62.14 -39.55 92.96 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.005 -1.48 . . . . 50.0 107.005 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -76.02 -42.57 47.56 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.055 -0.52 . . . . 50.0 110.291 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.65 94.46 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.14 -39.69 93.44 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.81 -45.75 67.2 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.479 0.918 . . . . 50.0 113.479 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -66.87 -22.17 65.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.825 0.345 . . . . 25.0 111.393 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -68.42 -18.99 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.381 -0.372 . . . . 50.0 110.366 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 4.27 84.39 Favored Glycine 0 C--O 1.239 0.444 0 CA-C-N 116.313 -0.403 . . . . 50.0 113.407 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.56 145.44 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 107.032 -1.469 . . . . 50.0 107.032 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -97.48 84.34 3.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 -170.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.87 159.54 22.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.408 -0.96 . . . . 50.0 108.408 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -104.79 160.16 15.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.83 -40.15 91.69 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.953 -0.299 . . . . 50.0 110.345 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.05 82.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.734 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -78.59 -46.9 18.3 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 116.11 -0.495 . . . . 50.0 110.695 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.78 -53.68 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 -19.96 66.13 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.059 0.763 . . . . 50.0 113.059 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -59.25 -37.14 76.85 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.405 -0.809 . . . . 50.0 109.982 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -73.73 -23.74 59.81 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 121.342 -0.849 . . . . 50.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.62 -27.15 62.91 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 173.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -71.11 -33.85 70.55 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 174.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -67.24 -42.07 84.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.99 -0.55 . . . . 50.0 112.155 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -36.03 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 109.646 -0.502 . . . . 50.0 109.646 176.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -39.21 86.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.94 -0.475 . . . . 50.0 111.528 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.93 -46.65 20.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.065 0.765 . . . . 50.0 113.065 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -72.87 -29.1 62.92 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.333 0.587 . . . . 25.0 111.611 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.2 m -125.55 78.54 68.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 50.0 110.193 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.18 -16.82 31.68 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.07 0.363 . . . . 50.0 112.669 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -20.0 51.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 50.0 112.315 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -61.92 -53.28 61.41 Favored Pre-proline 0 CA--C 1.543 0.686 0 O-C-N 121.86 -0.525 . . . . 50.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.33 -23.6 23.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 113.78 -3.68 . . . . 50.0 115.136 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.62 -37.27 86.11 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.369 0.507 . . . . 50.0 112.369 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' CD ' HH12 ' A' ' 55' ' ' ARG . 44.0 mt-10 -79.64 -6.78 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.424 . . . . 50.0 111.32 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.4 22.22 50.69 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.045 1.178 . . . . 50.0 116.045 173.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -130.67 136.98 49.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.767 0.784 . . . . 25.0 110.138 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -124.13 103.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.509 1.147 . . . . 50.0 109.029 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.91 163.24 24.08 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 105.49 -2.041 . . . . 50.0 105.49 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.47 -36.13 75.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 N-CA-C 106.794 -1.558 . . . . 50.0 106.794 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -57.13 -37.35 71.88 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.101 0.477 . . . . 50.0 110.492 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.503 HH12 ' CD ' ' A' ' 48' ' ' GLU . 83.6 mtt-85 -79.33 -37.76 36.79 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.796 -0.638 . . . . 50.0 110.866 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -64.69 -30.17 71.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.35 0.5 . . . . 50.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -59.78 -49.88 75.99 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.895 0.855 . . . . 50.0 108.717 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -55.74 -28.64 56.93 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 113.702 -1.59 . . . . 50.0 114.131 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.37 -40.92 87.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.551 0.691 . . . . 50.0 109.396 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.78 -33.47 55.41 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.165 -0.774 . . . . 50.0 111.165 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.88 -39.96 93.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 176.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.6 -43.26 94.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.743 -0.662 . . . . 50.0 111.646 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.16 -39.32 94.32 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -64.96 -45.83 84.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.558 -0.292 . . . . 50.0 110.375 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -67.89 -37.94 82.39 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.436 -0.506 . . . . 50.0 110.559 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.3 -37.4 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.18 -38.21 89.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.075 -0.39 . . . . 50.0 110.221 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.44 -32.36 73.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.961 0.41 . . . . 50.0 110.185 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.1 m -76.12 -42.07 48.13 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.51 0.68 6.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 117.533 2.42 . . . . 50.0 117.533 -170.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -177.76 54.23 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 116.331 1.293 . . . . 50.0 116.331 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.92 -8.02 22.68 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.226 2.617 . . . . 50.0 114.944 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.98 -26.99 61.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.063 0.459 . . . . 50.0 111.453 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.39 -38.32 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.798 -0.637 . . . . 50.0 111.414 -171.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.39 131.01 24.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 104.319 -2.474 . . . . 50.0 104.319 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -85.86 154.82 10.05 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 115.466 -2.556 . . . . 50.0 112.489 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.31 -23.07 31.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.712 -0.618 . . . . 50.0 111.496 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.3 t -70.75 -23.01 62.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.665 -0.647 . . . . 25.0 111.318 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.57 81.55 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 120.059 -0.656 . . . . 25.0 110.805 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -70.86 -32.34 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 50.0 110.562 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.7 t -68.76 -46.94 67.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.049 -0.723 . . . . 50.0 109.049 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.01 -40.87 95.54 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.177 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.75 -39.64 77.85 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.108 -0.37 . . . . 50.0 111.146 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.83 -32.27 72.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.445 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.87 -43.94 97.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.898 0.38 . . . . 50.0 110.149 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.6 mp -77.32 -31.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.03 -49.9 72.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.125 -0.359 . . . . 50.0 110.508 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.275 -0.57 . . . . 50.0 111.287 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.67 -40.52 84.47 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 121.877 -0.514 . . . . 50.0 111.582 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.17 -37.95 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.92 -18.96 65.69 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.01 35.37 3.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.215 0.531 . . . . 50.0 110.582 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.59 -28.73 70.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.3 pm0 -69.0 -19.31 64.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.148 0.796 . . . . 50.0 113.148 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -111.2 7.34 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.469 0.652 . . . . 50.0 109.44 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -128.55 77.83 76.75 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 107.55 -1.278 . . . . 50.0 107.55 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.76 -19.77 59.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 116.992 -1.539 . . . . 50.0 114.605 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -69.21 -36.09 76.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.811 -0.44 . . . . 50.0 109.811 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.95 -29.51 6.64 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.286 0 C-N-CA 120.37 -0.532 . . . . 50.0 109.807 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.76 -43.41 94.31 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.587 0.63 . . . . 50.0 110.208 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.01 71.12 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.401 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.53 -29.6 59.51 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.58 -48.69 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.408 -1.33 . . . . 50.0 107.408 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.6 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -62.37 -38.69 90.55 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.644 -0.422 . . . . 50.0 112.136 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -36.6 77.79 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.627 -0.879 . . . . 25.0 108.627 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.26 -39.23 89.58 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.913 -0.492 . . . . 50.0 111.525 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.7 -47.46 72.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.524 . . . . 50.0 110.573 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.7 mt -64.0 -38.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.034 -0.53 . . . . 50.0 110.023 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.42 -37.95 87.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.898 -0.501 . . . . 50.0 112.025 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mttp . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 178.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.418 0 N-CA-C 111.963 -0.455 . . . . 50.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.23 -41.14 86.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.935 0.368 . . . . 50.0 111.224 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.46 -23.21 50.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.497 -0.481 . . . . 50.0 110.76 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.16 -39.85 82.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.555 -0.716 . . . . 50.0 109.966 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -14.49 63.03 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 172.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.7 -24.89 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.399 0.619 . . . . 50.0 109.864 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.28 91.56 3.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.968 -0.382 . . . . 50.0 109.968 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -45.61 -43.38 12.22 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 115.149 1.537 . . . . 50.0 115.149 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.55 -24.51 64.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.371 0.605 . . . . 50.0 112.332 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -83.62 -41.37 17.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.377 -0.971 . . . . 50.0 108.377 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.48 -36.67 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.136 -0.938 . . . . 50.0 110.188 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.2 -42.57 95.39 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -69.04 -41.23 77.94 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.649 -0.657 . . . . 50.0 109.666 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.13 -23.84 66.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.37 -42.58 74.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.241 -1.022 . . . . 50.0 108.241 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -84.07 -37.03 22.59 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.987 -0.552 . . . . 50.0 111.697 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.25 85.9 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.89 -38.49 91.16 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.693 -1.225 . . . . 50.0 107.693 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -70.01 -39.28 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.174 1.176 . . . . 50.0 114.174 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 p -67.56 -22.82 65.38 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.977 0.808 . . . . 25.0 111.491 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -23.5 64.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.553 -0.536 . . . . 50.0 109.553 174.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.77 -0.62 70.67 Favored Glycine 0 C--O 1.238 0.393 0 CA-C-N 116.538 -0.301 . . . . 50.0 113.311 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.14 132.58 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -89.39 84.36 6.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.558 -0.747 . . . . 50.0 109.486 -174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.59 156.84 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.638 0.732 . . . . 50.0 109.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -86.64 138.05 31.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 50.0 109.364 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -49.5 66.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.779 0.323 . . . . 50.0 111.806 177.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.91 66.64 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.037 -0.528 . . . . 25.0 112.41 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -85.96 -38.55 17.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.973 -0.38 . . . . 50.0 109.973 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -54.68 18.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.451 -0.499 . . . . 50.0 110.809 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.06 -19.97 63.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.078 0.77 . . . . 50.0 113.078 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -33.82 76.22 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.556 -0.715 . . . . 50.0 109.785 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -75.93 -24.77 55.53 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.734 -0.604 . . . . 50.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.45 -32.08 71.84 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.865 -1.161 . . . . 50.0 107.865 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.27 -32.16 60.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.899 -0.501 . . . . 50.0 110.182 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.47 -29.64 69.8 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.089 -0.505 . . . . 50.0 111.296 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.58 -50.81 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 N-CA-C 108.024 -1.102 . . . . 50.0 108.024 173.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -37.96 89.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.129 -0.941 . . . . 50.0 109.627 -172.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.36 -47.24 77.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.584 -0.735 . . . . 50.0 112.309 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -82.22 -27.39 32.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.464 0.65 . . . . 25.0 112.291 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.5 78.55 62.3 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 122.944 0.498 . . . . 50.0 110.192 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.88 -19.04 40.96 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-O 121.477 0.532 . . . . 50.0 113.319 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -18.8 58.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -68.74 -52.21 18.86 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 121.496 -0.753 . . . . 50.0 112.201 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.93 -23.54 29.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 114.664 -3.091 . . . . 50.0 114.471 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.53 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 50.0 111.504 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.89 -10.6 59.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 111.985 0.365 . . . . 50.0 111.985 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.58 25.12 34.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 117.688 1.835 . . . . 50.0 117.688 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -133.66 136.96 45.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.821 0.811 . . . . 25.0 110.282 -174.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.1 mm -111.69 111.58 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.965 1.364 . . . . 50.0 110.221 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -155.63 159.62 39.76 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.332 -1.304 . . . . 50.0 110.916 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.18 -29.92 46.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 111.812 0.301 . . . . 50.0 111.812 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -61.81 -33.44 74.13 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -85.29 -38.43 18.85 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.309 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -64.9 -30.7 71.71 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.14 -40.57 96.4 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.875 -0.516 . . . . 50.0 110.228 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -62.82 -25.53 68.3 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.132 1.16 . . . . 50.0 114.132 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.38 -39.77 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.429 -0.952 . . . . 50.0 108.429 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.7 63.49 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.844 -0.902 . . . . 50.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -61.0 -38.95 87.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.9 -45.88 84.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.846 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.14 -38.96 93.26 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.824 -0.806 . . . . 50.0 108.824 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.91 -42.58 89.98 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.548 -0.296 . . . . 50.0 110.956 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.96 -45.63 84.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.569 0.699 . . . . 50.0 110.665 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.84 -36.14 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.97 -38.53 88.81 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.122 -0.362 . . . . 50.0 110.79 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.16 -35.24 76.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.096 0.474 . . . . 50.0 109.908 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.4 m -73.56 -43.27 60.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.16 1.31 7.16 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.364 2.357 . . . . 50.0 117.364 -169.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.61 178.99 52.1 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 117.951 1.94 . . . . 50.0 117.951 172.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.69 -9.64 25.26 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.374 2.716 . . . . 50.0 115.147 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -83.34 -3.99 58.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.38 0.609 . . . . 50.0 111.305 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -123.9 -40.02 2.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.4 -0.818 . . . . 50.0 110.841 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.34 131.13 24.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 103.553 -2.758 . . . . 50.0 103.553 164.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.2 155.95 11.07 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 115.425 -2.583 . . . . 50.0 112.714 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -22.68 30.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 121.87 -0.519 . . . . 50.0 111.523 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -70.77 -23.1 62.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.531 -0.731 . . . . 25.0 111.008 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.84 85.55 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 120.021 -0.672 . . . . 25.0 110.247 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -71.14 -31.39 67.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.418 0.627 . . . . 50.0 111.138 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -71.79 -44.72 63.49 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.953 -0.758 . . . . 50.0 108.953 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.83 -42.29 95.05 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.807 -0.633 . . . . 50.0 109.555 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -58.47 -39.85 81.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.935 0.398 . . . . 50.0 111.535 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.7 -31.87 73.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 122.416 0.286 . . . . 50.0 111.142 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.93 -40.45 97.67 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.132 0.491 . . . . 50.0 110.028 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.3 -28.37 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.314 -0.555 . . . . 25.0 109.514 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.56 -46.61 86.53 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 122.071 -0.393 . . . . 50.0 110.039 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.26 -27.95 61.86 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.684 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.85 -41.12 83.42 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.187 -0.32 . . . . 50.0 111.7 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -77.4 -40.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.64 -0.424 . . . . 50.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.58 -36.02 79.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.238 0.542 . . . . 50.0 109.715 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -110.6 37.34 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 50.0 111.763 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -62.52 -22.44 66.29 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 120.907 0.384 . . . . 50.0 110.573 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.61 -34.27 69.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.814 1.042 . . . . 50.0 113.814 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.66 9.25 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.526 0.679 . . . . 50.0 110.532 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -124.85 78.27 65.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -66.75 -19.77 53.03 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 116.881 -1.613 . . . . 50.0 114.654 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -66.32 -41.23 89.96 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.501 -0.925 . . . . 50.0 108.501 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -27.92 6.68 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.537 0 CA-C-N 115.56 -0.745 . . . . 50.0 110.195 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 tpt -61.43 -41.69 97.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.978 0.808 . . . . 50.0 110.271 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.76 -25.54 66.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.429 -0.794 . . . . 25.0 110.556 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.1 46.5 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.47 -51.15 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 106.852 -1.536 . . . . 50.0 106.852 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.245 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.31 -42.43 99.01 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.165 -0.614 . . . . 50.0 111.875 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.7 m -61.92 -41.91 98.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.61 -50.38 73.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.601 -0.44 . . . . 50.0 110.336 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 -176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.67 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.92 -22.34 65.96 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.157 -0.683 . . . . 50.0 109.157 179.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.244 0 CA-C-O 120.971 0.206 . . . . 50.0 113.365 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -65.72 -37.98 87.93 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 122.458 -0.437 . . . . 50.0 111.491 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -75.26 -35.88 61.31 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -39.36 90.86 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.77 -0.581 . . . . 50.0 110.289 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -62.36 -32.36 73.14 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.481 0.919 . . . . 50.0 113.481 171.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.71 -26.78 55.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.694 0.759 . . . . 50.0 110.236 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 79.74 8.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.113 -0.494 . . . . 50.0 110.31 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.75 -31.91 28.57 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 115.026 1.491 . . . . 50.0 115.026 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.0 -28.73 70.3 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.383 -0.823 . . . . 50.0 112.936 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -87.5 -36.8 17.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.0 -32.55 47.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 N-CA-C 108.559 -0.904 . . . . 50.0 108.559 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -51.53 -49.05 62.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.169 0.588 . . . . 50.0 111.807 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -79.1 -36.02 41.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.802 0.334 . . . . 50.0 111.318 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.745 -0.597 . . . . 50.0 112.251 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -63.78 -39.23 93.76 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.925 -0.769 . . . . 50.0 108.925 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -69.04 -43.64 74.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.41 90.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.56 -40.56 95.16 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.96 -1.126 . . . . 75.0 107.96 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -66.43 -43.1 86.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.447 0.536 . . . . 50.0 112.447 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -23.17 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.924 0.329 . . . . 25.0 111.383 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -71.05 -24.22 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.74 11.9 84.96 Favored Glycine 0 CA--C 1.511 -0.173 0 N-CA-C 111.381 -0.688 . . . . 50.0 111.381 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -84.56 145.98 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.489 -0.93 . . . . 50.0 108.489 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -115.43 84.39 2.09 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -134.76 135.29 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 104.45 -2.426 . . . . 50.0 104.45 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -64.86 146.31 55.06 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -43.88 72.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.527 1.306 . . . . 50.0 114.527 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.84 69.57 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.139 0.495 . . . . 25.0 111.579 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.31 -40.23 37.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.272 -0.64 . . . . 50.0 109.272 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.42 -55.39 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.452 0.644 . . . . 75.0 109.385 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.36 -19.85 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.289 1.218 . . . . 50.0 114.289 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -65.31 -32.29 73.86 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.904 -1.123 . . . . 50.0 110.127 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -74.03 -23.85 59.47 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.339 -0.851 . . . . 50.0 110.984 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.46 -30.94 66.59 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 108.248 -1.019 . . . . 50.0 108.248 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.8 -33.11 71.92 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.6 -0.687 . . . . 50.0 109.926 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -64.17 -31.67 72.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 50.0 110.687 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.08 -48.94 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.237 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.51 -40.74 95.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.49 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -47.5 44.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -176.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.554 0.692 . . . . 25.0 111.072 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.4 m -124.73 80.16 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.933 -0.576 . . . . 50.0 110.203 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.47 -17.72 34.15 Favored 'Trans proline' 0 C--N 1.346 0.398 0 CA-C-O 121.725 0.635 . . . . 50.0 111.647 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -16.4 56.9 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.397 -0.819 . . . . 50.0 111.839 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.62 -50.62 35.04 Favored Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 120.885 -1.134 . . . . 50.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.9 -21.73 37.25 Favored 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 113.162 -4.092 . . . . 50.0 112.91 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -68.02 -36.15 79.46 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.474 0.31 . . . . 50.0 111.374 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.72 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.48 15.52 39.7 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 115.13 0.812 . . . . 50.0 115.13 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -133.51 135.66 44.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -124.0 102.77 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.723 1.249 . . . . 50.0 110.092 -172.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -140.44 162.93 34.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.904 -1.887 . . . . 50.0 105.904 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.87 -27.53 42.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 111.795 0.295 . . . . 50.0 111.795 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -62.56 -42.7 99.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.725 -0.609 . . . . 50.0 110.722 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -83.01 -29.5 28.85 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.998 0.428 . . . . 50.0 110.341 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -65.62 -32.86 74.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.865 0.364 . . . . 50.0 110.204 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.81 -39.97 95.94 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 119.098 -0.477 . . . . 50.0 111.404 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -56.12 -32.28 64.08 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.911 0.337 . . . . 50.0 111.911 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.31 -42.77 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.332 0.587 . . . . 50.0 110.609 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.7 -34.15 59.89 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.418 -0.896 . . . . 50.0 111.481 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -40.07 95.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.6 -44.7 93.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.518 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -62.34 -36.5 82.41 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.605 -0.517 . . . . 50.0 109.605 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.071 -0.252 . . . . 50.0 110.716 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.54 -43.11 81.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 50.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -36.63 84.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 50.0 109.747 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -68.11 -38.44 82.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.34 . . . . 50.0 110.602 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.61 -38.58 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.988 0.423 . . . . 50.0 110.581 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -76.91 -42.23 40.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.975 0.732 . . . . 25.0 112.975 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -112.84 -4.22 14.03 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.714 1.376 . . . . 50.0 114.714 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 177.64 51.89 Favored Glycine 0 C--O 1.243 0.664 0 N-CA-C 115.114 0.806 . . . . 50.0 115.114 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.88 -5.28 16.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.889 2.393 . . . . 50.0 113.82 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.3 -25.69 60.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.068 -0.514 . . . . 50.0 111.271 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -107.76 -33.45 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 50.0 111.103 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.84 130.88 24.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 105.486 -2.042 . . . . 50.0 105.486 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -81.29 155.14 19.08 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 115.765 -2.357 . . . . 50.0 111.423 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.38 -20.73 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 121.664 -0.647 . . . . 50.0 110.659 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -75.27 -17.75 60.24 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.751 -0.593 . . . . 25.0 111.409 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.55 79.41 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.689 -0.632 . . . . 25.0 109.553 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -71.67 -30.06 65.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.127 0.489 . . . . 50.0 111.289 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -72.62 -44.55 61.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.954 -0.758 . . . . 50.0 108.954 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -62.87 -41.73 99.5 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.776 -0.647 . . . . 50.0 109.737 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.64 -38.96 86.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.977 0.417 . . . . 50.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.28 -29.44 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.497 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.3 -43.54 94.42 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.878 -0.415 . . . . 50.0 109.878 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.52 -30.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.397 -0.815 . . . . 25.0 108.968 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.14 -43.74 87.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 118.705 -0.664 . . . . 50.0 110.031 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.55 -28.87 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.319 0.963 . . . . 50.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.41 -41.88 93.12 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.332 -0.248 . . . . 50.0 110.332 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.75 -42.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 50.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.77 -36.83 72.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.078 0.551 . . . . 50.0 109.832 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -117.05 34.69 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.469 -0.332 . . . . 50.0 111.522 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -64.74 -22.73 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.561 0.695 . . . . 50.0 109.754 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.83 -29.52 66.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.361 1.245 . . . . 50.0 114.361 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.31 9.72 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.372 0.606 . . . . 50.0 110.748 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -125.58 81.15 65.18 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.17 -24.25 59.17 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 116.953 -1.565 . . . . 50.0 115.334 -174.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.01 -39.26 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.83 -27.77 6.7 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 C-N-CA 120.029 -0.668 . . . . 50.0 110.629 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.882 -0.784 . . . . 50.0 108.882 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.31 75.18 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.51 -30.68 63.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.63 -47.99 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.211 -1.033 . . . . 50.0 108.211 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.31 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.232 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.52 -38.28 90.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.292 0.479 . . . . 50.0 112.292 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.3 m -67.48 -38.93 85.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -62.13 -42.14 98.95 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.317 -0.553 . . . . 50.0 111.104 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.47 -43.96 93.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.964 0.411 . . . . 50.0 110.442 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.11 -42.87 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.21 -0.45 . . . . 50.0 109.895 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -38.67 90.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.935 0.397 . . . . 50.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.6 mttt . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 110.074 -0.343 . . . . 50.0 110.074 176.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.269 0 N-CA-C 110.615 -0.994 . . . . 50.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.84 -36.74 84.32 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.466 -0.432 . . . . 50.0 111.866 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -76.66 -29.36 56.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.095 -0.378 . . . . 50.0 110.187 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.94 -33.55 76.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.825 -0.547 . . . . 50.0 111.47 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -74.19 -3.83 32.19 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.964 0.727 . . . . 50.0 112.964 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -116.56 -13.29 10.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.219 0.533 . . . . 50.0 110.36 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -78.34 98.4 5.95 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 106.672 -1.603 . . . . 50.0 106.672 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -46.81 -43.21 18.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.197 1.184 . . . . 50.0 114.197 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -65.49 -33.57 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.191 0.812 . . . . 50.0 113.191 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -72.87 -42.32 63.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.98 -31.02 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.098 -0.955 . . . . 50.0 110.94 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.31 -52.39 65.46 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.66 -0.65 . . . . 50.0 111.263 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -69.39 -42.25 75.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.572 0.701 . . . . 50.0 111.468 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.81 -23.4 66.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.441 0.534 . . . . 50.0 112.441 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -36.34 60.34 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.824 -0.435 . . . . 50.0 109.824 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.36 -47.75 11.95 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.677 -0.692 . . . . 50.0 110.141 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.35 70.42 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.141 1.163 . . . . 25.0 114.141 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.92 -39.79 90.73 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.64 -0.504 . . . . 50.0 109.64 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.02 -36.21 23.3 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.955 1.465 . . . . 50.0 114.955 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -66.34 -19.49 65.82 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -73.31 -17.15 61.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.994 0.426 . . . . 50.0 110.535 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.43 -4.54 72.3 Favored Glycine 0 C--O 1.238 0.37 0 CA-C-O 121.199 0.333 . . . . 50.0 113.003 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -89.37 130.88 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.542 -1.281 . . . . 50.0 107.542 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -88.65 84.29 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 m -131.41 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 50.0 110.607 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -90.82 161.43 15.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.95 -37.59 74.41 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 122.19 -0.319 . . . . 50.0 110.462 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.21 86.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 25.0 109.999 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.47 -40.51 80.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.2 tp -75.93 -54.27 7.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.14 0.792 . . . . 75.0 113.14 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.54 -20.02 66.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.432 0.53 . . . . 50.0 112.432 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.62 -40.63 65.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.112 0.482 . . . . 50.0 110.076 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.71 -23.86 42.07 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.082 0.401 . . . . 50.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.08 -31.24 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.101 -1.074 . . . . 50.0 108.101 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.39 -21.21 39.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.98 0.419 . . . . 50.0 111.484 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.34 -26.92 65.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.182 0.515 . . . . 50.0 109.984 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.15 -45.4 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.09 -42.26 99.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.823 -1.08 . . . . 50.0 112.417 -168.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.87 -36.88 64.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 50.0 112.04 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -79.09 -37.23 39.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.526 0.679 . . . . 25.0 110.65 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.2 79.08 59.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 50.0 110.534 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.72 -14.89 30.23 Favored 'Trans proline' 0 C--N 1.344 0.316 0 CA-C-O 121.732 0.638 . . . . 50.0 111.926 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -14.66 47.92 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.279 -0.873 . . . . 50.0 111.635 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.66 -49.7 38.6 Favored Pre-proline 0 CA--C 1.536 0.438 0 O-C-N 121.104 -0.997 . . . . 50.0 112.082 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.7 -20.09 40.71 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 112.951 -4.233 . . . . 50.0 113.146 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.13 -26.88 65.11 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.68 0.392 . . . . 50.0 111.501 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.22 -19.26 63.16 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.103 -0.373 . . . . 50.0 110.162 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.21 15.74 38.75 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 116.316 1.286 . . . . 50.0 116.316 174.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 m -134.73 135.39 41.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.6 0.7 . . . . 25.0 110.231 -174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.76 111.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.673 1.225 . . . . 50.0 108.724 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -151.71 154.76 36.94 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 106.838 -1.541 . . . . 50.0 106.838 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.5 tp -68.58 -29.82 45.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.68 -0.691 . . . . 50.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -65.83 -34.17 77.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -83.54 -37.25 23.26 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.905 -0.589 . . . . 50.0 110.208 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -64.07 -30.33 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.707 0.289 . . . . 50.0 111.429 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.92 -42.24 97.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.28 -0.263 . . . . 50.0 110.418 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -55.95 -31.3 62.84 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.27 -40.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 50.0 109.537 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.43 -35.2 59.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.606 -0.998 . . . . 50.0 110.606 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -43.71 92.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.45 178.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -62.41 -39.16 92.38 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.513 -0.551 . . . . 50.0 109.513 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.09 -39.63 82.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.684 0.278 . . . . 50.0 110.977 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -62.99 -47.46 83.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.77 0.795 . . . . 50.0 109.285 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -37.23 86.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.747 -0.661 . . . . 50.0 110.051 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -67.55 -36.41 80.91 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 111.999 0.37 . . . . 50.0 111.999 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.27 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.428 -0.795 . . . . 50.0 110.186 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -69.61 -41.97 75.01 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.24 2.44 8.51 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.898 1.814 . . . . 50.0 115.898 -172.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.4 -175.27 54.84 Favored Glycine 0 C--O 1.242 0.623 0 C-N-CA 120.539 -0.839 . . . . 50.0 114.87 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.08 -5.5 17.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 121.862 1.708 . . . . 50.0 114.748 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.44 -6.4 53.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.582 . . . . 50.0 112.538 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -117.47 -36.11 3.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.763 -0.653 . . . . 50.0 112.6 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.39 130.89 24.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.53 158.32 14.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 117.152 -1.432 . . . . 50.0 112.137 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.28 -23.33 32.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.708 -0.62 . . . . 50.0 111.426 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -72.3 -21.23 61.37 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.53 -0.731 . . . . 25.0 111.231 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.21 86.85 Favored 'General case' 0 C--O 1.218 -0.583 0 C-N-CA 119.684 -0.806 . . . . 25.0 109.015 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -71.67 -32.1 67.5 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.011 0.434 . . . . 50.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.1 t -69.21 -46.98 66.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.77 -44.43 96.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.272 -0.64 . . . . 50.0 109.272 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -59.51 -40.48 87.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.297 0.48 . . . . 50.0 112.297 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.45 -31.39 72.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 50.0 110.819 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.587 0.708 . . . . 50.0 109.745 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.72 -30.67 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.5 -46.13 89.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.89 -0.506 . . . . 50.0 110.004 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.2 -26.76 60.45 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.853 -0.739 . . . . 50.0 110.54 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.46 -40.89 89.63 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.043 -0.411 . . . . 50.0 111.437 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.9 mt -75.75 -41.72 40.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.27 -35.69 77.99 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.112 0.482 . . . . 50.0 109.862 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -112.15 38.9 2.56 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.474 0.654 . . . . 50.0 112.481 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -62.99 -21.59 66.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.288 -0.869 . . . . 50.0 109.721 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.89 0.876 . . . . 50.0 113.244 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -114.19 9.07 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.657 0.741 . . . . 50.0 110.346 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -123.87 78.76 57.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 50.0 110.285 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.39 -17.79 54.22 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 116.746 -1.703 . . . . 50.0 113.141 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.8 -44.57 92.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.939 -0.763 . . . . 50.0 108.939 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.88 -25.22 6.97 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.18 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.575 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.48 -38.74 88.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.861 -0.524 . . . . 50.0 110.268 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.29 68.33 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.862 -0.524 . . . . 25.0 110.573 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.81 -29.98 50.94 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.58 -49.83 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.24 86.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.845 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.7 -35.62 81.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.661 0.985 . . . . 50.0 113.661 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.4 m -63.34 -40.75 98.17 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.22 -40.27 95.56 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.211 -0.596 . . . . 50.0 112.091 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.45 -45.65 91.0 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 50.0 109.843 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.43 -41.11 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.459 -0.791 . . . . 50.0 109.735 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.69 -38.97 90.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.088 -0.383 . . . . 50.0 111.813 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.4 mttt . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 120.646 0.26 . . . . 50.0 111.685 -179.557 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.33 0 N-CA-C 111.126 -0.789 . . . . 50.0 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.79 -35.66 81.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.032 0.444 . . . . 50.0 110.722 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.37 -40.95 81.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.318 0.58 . . . . 50.0 109.896 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.9 -37.07 86.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.3 65.26 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -89.35 -20.85 23.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.152 0.501 . . . . 50.0 110.77 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 90.0 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -50.37 -36.34 32.07 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.065 1.506 . . . . 50.0 115.065 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -65.38 -29.94 70.71 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.449 -0.782 . . . . 50.0 111.645 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -79.55 -40.45 29.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 50.0 109.18 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.38 -39.83 70.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.093 -0.958 . . . . 50.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -57.3 -45.75 83.84 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.007 0.821 . . . . 50.0 112.634 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -66.96 -37.83 85.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 50.0 109.635 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -29.05 68.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.713 0.635 . . . . 50.0 112.713 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -59.99 -41.8 92.84 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.98 -45.18 59.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.355 -0.838 . . . . 50.0 110.082 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.92 99.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -40.43 96.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.784 -0.821 . . . . 75.0 108.784 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.68 -41.46 75.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.898 0.703 . . . . 50.0 112.898 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 p -65.65 -23.62 66.84 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -73.18 -20.67 60.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.279 -0.569 . . . . 50.0 110.052 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.23 23.99 69.77 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 121.027 -0.606 . . . . 50.0 113.495 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.66 142.27 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.442 0.639 . . . . 50.0 109.914 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -81.23 84.44 6.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.085 -0.507 . . . . 50.0 110.785 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.17 128.62 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.13 140.57 48.91 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.846 -1.539 . . . . 50.0 106.846 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -49.07 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.093 0.775 . . . . 50.0 113.093 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.34 72.57 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.373 -0.376 . . . . 25.0 111.309 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.73 58.35 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 121.185 -0.206 . . . . 50.0 111.113 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.99 -53.06 19.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.53 0.681 . . . . 75.0 109.419 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.56 -20.35 66.29 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.731 0.641 . . . . 50.0 112.731 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -59.44 -40.21 86.06 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.883 -0.511 . . . . 50.0 109.889 173.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -76.51 -23.82 53.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.694 -0.629 . . . . 50.0 111.827 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.79 -30.28 68.82 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.123 -1.066 . . . . 50.0 108.123 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.76 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.127 -0.358 . . . . 50.0 110.067 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.87 -30.67 71.31 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.721 0.296 . . . . 50.0 110.69 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 N-CA-C 108.293 -1.003 . . . . 50.0 108.293 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -64.42 -36.95 85.83 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.687 -0.688 . . . . 50.0 109.595 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.07 -57.44 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 -26.17 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.554 0.692 . . . . 25.0 112.176 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.6 m -127.84 77.34 76.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.44 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.62 -16.02 33.91 Favored 'Trans proline' 0 C--N 1.346 0.422 0 CA-C-O 121.608 0.587 . . . . 50.0 112.384 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -14.09 59.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 50.0 112.041 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -66.72 -52.32 34.53 Favored Pre-proline 0 CA--C 1.543 0.69 0 O-C-N 121.411 -0.805 . . . . 50.0 111.487 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -21.06 37.67 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.608 -3.795 . . . . 50.0 113.837 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.81 -37.56 86.59 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.172 0.189 . . . . 50.0 111.14 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.964 0.411 . . . . 50.0 109.95 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 17.44 49.17 Favored Glycine 0 C--O 1.227 -0.281 0 CA-C-N 116.102 -0.499 . . . . 50.0 113.848 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 m -126.86 122.35 34.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -117.66 102.53 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.738 1.256 . . . . 50.0 109.774 -171.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -141.61 165.59 27.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.246 -2.131 . . . . 50.0 105.246 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.74 -28.26 44.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.512 0.196 . . . . 50.0 110.717 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.92 -37.69 88.32 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.949 -0.469 . . . . 50.0 110.687 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.53 -39.84 44.66 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.874 0.368 . . . . 50.0 110.23 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -64.02 -31.7 72.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.967 0.413 . . . . 50.0 112.106 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.77 -41.82 98.19 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.292 -0.385 . . . . 50.0 110.644 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -57.32 -32.92 67.18 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.264 0.468 . . . . 50.0 112.264 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.54 -40.82 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.471 0.653 . . . . 50.0 109.755 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.06 53.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.431 -0.89 . . . . 50.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.89 -39.93 95.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.42 -46.43 88.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.272 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.5 -39.28 92.99 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -66.24 -44.48 83.61 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.457 -0.097 . . . . 50.0 111.126 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.22 -47.84 80.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.84 -32.27 73.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.769 0.318 . . . . 50.0 111.385 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -67.77 -48.32 66.69 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.733 -0.212 . . . . 50.0 111.069 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.37 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.172 0.511 . . . . 50.0 112.339 -173.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.2 m -56.35 -38.26 71.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.317 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -127.22 -48.11 1.46 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.982 1.845 . . . . 50.0 115.982 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.77 -170.2 24.08 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 109.82 -1.312 . . . . 50.0 109.82 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.82 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.757 1.638 . . . . 50.0 114.45 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -70.73 -28.67 64.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.476 -0.565 . . . . 50.0 109.476 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -89.32 -39.73 13.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.36 0.874 . . . . 50.0 113.36 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.28 130.87 22.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 106.65 -1.611 . . . . 50.0 106.65 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.53 147.46 32.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 115.208 -2.728 . . . . 50.0 112.912 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.57 -22.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.954 -0.466 . . . . 50.0 111.759 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 t -70.04 -23.28 63.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.548 -0.72 . . . . 25.0 111.17 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.17 86.66 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 119.763 -0.775 . . . . 25.0 109.892 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -70.97 -32.95 69.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.343 0.592 . . . . 50.0 110.705 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -66.89 -46.15 75.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.69 -0.856 . . . . 50.0 108.69 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.97 -40.41 91.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.912 -0.586 . . . . 50.0 110.663 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.76 -37.15 75.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.772 0.32 . . . . 50.0 110.938 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -67.96 -24.38 65.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.434 0.531 . . . . 50.0 112.434 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 tt -70.32 -45.19 66.7 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.74 -0.837 . . . . 50.0 108.74 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.69 -29.1 25.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.603 0.716 . . . . 25.0 109.663 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -56.27 -52.13 65.63 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.058 -0.519 . . . . 50.0 110.467 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.21 -30.55 69.65 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.573 0.624 . . . . 50.0 111.238 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.49 -45.31 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 50.0 111.682 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.6 mt -80.31 -39.78 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 50.0 110.634 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.31 -32.33 68.37 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.485 0.314 . . . . 50.0 111.842 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -124.46 35.57 4.78 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.617 0.722 . . . . 50.0 111.886 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -57.77 -34.85 70.01 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.463 -0.789 . . . . 50.0 111.621 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.56 -17.93 64.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.71 1.374 . . . . 50.0 114.71 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.38 9.56 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.327 0.584 . . . . 50.0 110.019 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -134.72 85.69 35.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.229 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.69 -20.25 46.77 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.22 -1.386 . . . . 50.0 114.744 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.57 -43.24 90.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 m -84.91 -28.39 6.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.793 -0.639 . . . . 50.0 110.622 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -37.41 87.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 50.0 110.237 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.0 -33.0 73.53 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.833 0.349 . . . . 25.0 110.191 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.36 -32.65 55.17 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.27 -48.35 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 107.987 -1.116 . . . . 50.0 107.987 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.68 95.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.946 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.24 -37.76 88.51 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.536 -0.465 . . . . 50.0 111.882 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.4 m -63.66 -42.63 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -60.7 -45.06 95.66 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.384 -0.526 . . . . 50.0 110.241 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -65.81 -38.95 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.284 0.476 . . . . 50.0 112.284 -176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.25 -43.04 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.856 -0.794 . . . . 50.0 108.856 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.32 -42.49 92.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.352 . . . . 50.0 110.08 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.4 mttt . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 112.96 0.726 . . . . 50.0 112.96 -179.054 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 111.784 -0.526 . . . . 50.0 111.784 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -67.84 -28.41 67.53 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.422 -0.458 . . . . 50.0 112.045 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -73.91 -46.37 44.85 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.84 -0.8 . . . . 50.0 108.84 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -53.81 -35.33 61.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 -17.65 61.85 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -101.32 -17.91 16.32 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.54 0.686 . . . . 50.0 110.665 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -76.3 81.75 3.06 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -49.31 -32.41 11.0 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 115.921 1.822 . . . . 50.0 115.921 -170.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.75 71.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.364 -0.835 . . . . 50.0 111.905 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -78.21 -44.21 26.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.606 -1.257 . . . . 50.0 107.606 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.92 -32.01 51.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-N 114.74 -1.118 . . . . 50.0 111.298 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.98 -46.3 71.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.86 0.755 . . . . 50.0 111.375 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -77.85 -39.69 42.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.384 0.611 . . . . 50.0 110.686 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.51 -24.84 66.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -64.76 -37.02 86.2 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.42 -38.24 35.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.804 -0.634 . . . . 50.0 109.58 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.14 86.45 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.9 -41.49 96.17 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.447 -0.945 . . . . 75.0 108.447 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.75 -49.26 71.48 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.908 -0.587 . . . . 50.0 112.477 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -73.15 -19.54 61.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.116 -0.365 . . . . 25.0 111.863 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.46 HH11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -74.59 -24.37 58.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.389 -0.596 . . . . 50.0 109.389 175.465 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.08 10.85 85.92 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 111.693 -0.563 . . . . 50.0 111.693 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.79 114.62 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.203 1.001 . . . . 50.0 109.046 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -86.21 84.42 7.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 50.0 109.866 -175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.61 158.7 37.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.862 -0.608 . . . . 50.0 109.681 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -77.77 148.59 34.74 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 104.601 -2.37 . . . . 50.0 104.601 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -43.78 84.18 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.771 -0.58 . . . . 50.0 111.692 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.97 74.07 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.127 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -73.2 -45.67 54.93 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.973 -0.38 . . . . 50.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.71 -51.55 67.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.819 0.818 . . . . 75.0 110.137 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.95 -19.89 65.8 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.112 0.782 . . . . 50.0 113.112 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -62.46 -30.71 71.44 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.282 -0.967 . . . . 50.0 110.099 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -76.05 -23.79 55.12 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.271 -0.893 . . . . 50.0 111.543 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -73.99 -17.73 60.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.195 -0.669 . . . . 50.0 109.195 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.94 -35.13 22.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.466 0.651 . . . . 50.0 109.915 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -64.34 -36.89 85.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.623 0.971 . . . . 50.0 113.623 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -35.14 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 122.232 -0.293 . . . . 50.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.44 -39.84 88.95 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.7 -40.89 72.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.108 0.48 . . . . 50.0 111.424 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -73.97 -33.03 63.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.639 0.733 . . . . 25.0 110.123 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.03 76.17 40.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 50.0 112.39 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.45 -11.17 29.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.273 -0.685 . . . . 50.0 112.106 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 -10.82 48.35 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.856 -0.611 . . . . 50.0 112.345 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.2 -48.16 77.28 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 121.443 -0.786 . . . . 50.0 112.026 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.24 -17.71 39.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 113.74 -3.706 . . . . 50.0 113.802 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -71.74 -32.31 67.6 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 110.176 -0.305 . . . . 50.0 110.176 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.09 -25.72 63.65 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.1 13.2 19.19 Favored Glycine 0 C--O 1.223 -0.575 0 N-CA-C 116.769 1.468 . . . . 50.0 116.769 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.717 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 34.2 m -132.3 136.75 47.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.494 0.647 . . . . 25.0 109.789 -171.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.65 111.74 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.713 1.244 . . . . 50.0 108.73 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -149.88 162.64 39.93 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.018 -1.845 . . . . 50.0 106.018 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.19 -29.68 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 116.165 -0.471 . . . . 50.0 110.634 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -65.18 -39.1 92.45 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.509 -0.745 . . . . 50.0 109.708 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.717 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 1.9 mpt_? -70.79 -40.85 72.31 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.451 -0.34 . . . . 50.0 110.173 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -70.33 -32.48 70.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -64.97 -40.6 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.673 -0.642 . . . . 50.0 109.61 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -56.53 -28.39 59.85 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.741 1.015 . . . . 50.0 113.741 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.27 -39.47 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.398 0.618 . . . . 50.0 109.538 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -36.41 77.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.786 -0.926 . . . . 50.0 110.786 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.69 -40.39 96.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.77 95.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 50.0 111.893 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.93 -41.7 98.26 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -67.06 -38.69 86.24 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.999 -0.28 . . . . 50.0 111.009 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.66 -44.52 93.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.895 0.855 . . . . 50.0 110.883 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -31.52 69.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.681 -0.691 . . . . 50.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -68.14 -41.35 81.76 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.862 -0.608 . . . . 50.0 109.804 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.28 -28.73 68.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.85 -0.531 . . . . 50.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.1 m -72.34 -36.78 68.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.25 -13.29 5.6 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.87 1.804 . . . . 50.0 115.87 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.04 -169.31 32.05 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 111.184 -0.766 . . . . 50.0 111.184 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.33 -3.64 13.36 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.624 1.55 . . . . 50.0 115.488 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.29 -22.17 63.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.135 -0.353 . . . . 50.0 110.937 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -101.28 -38.46 8.06 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 114.206 1.187 . . . . 50.0 114.206 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.63 130.95 23.61 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 105.315 -2.106 . . . . 50.0 105.315 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.3 157.84 17.24 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 116.306 -1.996 . . . . 50.0 111.841 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.68 -23.09 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.867 -0.521 . . . . 50.0 111.394 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -71.1 -23.78 62.17 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.654 -0.654 . . . . 25.0 111.319 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.75 84.44 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.859 -0.736 . . . . 25.0 109.953 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.24 -31.11 67.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.425 0.631 . . . . 50.0 110.261 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -70.43 -47.88 58.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.15 -40.14 96.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.009 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -58.35 -39.45 79.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.689 0.28 . . . . 50.0 111.006 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.14 -28.59 68.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.533 -0.303 . . . . 50.0 111.67 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' HG ' HH11 ' A' ' 22' ' ' ARG . 2.6 tt -66.93 -40.32 87.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.185 0.517 . . . . 50.0 110.305 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.36 -30.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 25.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.9 -52.5 64.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.421 -0.354 . . . . 50.0 110.077 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.18 -28.37 67.22 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.288 -0.565 . . . . 50.0 111.054 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.14 -39.88 93.63 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.098 -0.376 . . . . 50.0 111.208 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.2 mt -77.69 -40.81 28.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.786 -0.45 . . . . 50.0 109.786 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -35.3 73.02 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.365 0.602 . . . . 50.0 109.407 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -113.13 34.46 4.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.0 112.112 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -66.0 -19.61 65.92 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.15 0.5 . . . . 50.0 110.318 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.7 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.795 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.91 8.55 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.527 0.68 . . . . 50.0 110.196 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -124.46 79.88 60.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -66.33 -19.64 55.71 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.509 -1.194 . . . . 50.0 114.523 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -65.26 -46.59 79.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 p -79.76 -28.21 12.69 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.306 0 C-N-CA 119.878 -0.729 . . . . 50.0 110.059 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.6 tpt -60.54 -39.41 87.81 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.663 0.665 . . . . 50.0 110.721 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.52 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.312 -0.868 . . . . 25.0 110.645 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 -30.49 46.06 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -47.48 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.93 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.53 -37.1 84.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.346 0.498 . . . . 50.0 112.346 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.06 -42.61 98.81 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.65 -38.57 78.41 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.469 0.544 . . . . 50.0 112.469 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.7 -44.52 93.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.771 0.795 . . . . 50.0 109.403 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.76 -34.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 50.0 109.996 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.31 -35.94 80.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.961 -0.462 . . . . 50.0 111.367 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm . . . . . 0 N--CA 1.474 0.772 0 C-N-CA 120.495 -0.482 . . . . 50.0 110.547 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.207 0 N-CA-C 110.182 -1.167 . . . . 50.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.17 -35.6 80.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.331 -0.511 . . . . 50.0 110.248 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -33.99 74.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.849 -0.426 . . . . 50.0 109.849 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.97 -37.19 85.36 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 50.0 109.978 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -71.61 -17.01 62.3 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.835 0.68 . . . . 50.0 112.835 175.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -95.73 -21.29 18.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 50.0 109.888 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -82.24 100.77 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.26 -40.61 64.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.816 0.673 . . . . 50.0 112.816 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -40.84 93.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.989 0.423 . . . . 50.0 111.735 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.34 -45.03 61.69 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.402 -0.592 . . . . 50.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.88 -41.43 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.842 -0.617 . . . . 50.0 111.128 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.28 -43.14 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.126 0.417 . . . . 50.0 112.126 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -37.93 57.81 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -23.49 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.16 0.43 . . . . 50.0 112.16 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.63 -40.54 72.29 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.16 -0.681 . . . . 50.0 109.16 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.76 -34.58 30.34 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 121.004 -0.278 . . . . 50.0 111.353 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.87 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.34 -41.15 98.85 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.491 -0.559 . . . . 50.0 109.491 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -68.5 -42.4 78.65 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.483 0.919 . . . . 50.0 113.483 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 t -69.79 -15.88 63.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.752 0.31 . . . . 25.0 111.463 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -21.52 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.277 -0.264 . . . . 50.0 110.764 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -2.86 71.17 Favored Glycine 0 C--O 1.235 0.217 0 CA-C-O 121.399 0.444 . . . . 50.0 112.263 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.01 124.53 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.532 -0.914 . . . . 50.0 108.532 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -85.85 84.4 7.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.87 148.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.175 0.512 . . . . 50.0 109.981 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.31 136.85 44.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 106.073 -1.825 . . . . 50.0 106.073 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -48.75 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 50.0 111.52 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.12 75.39 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.045 -0.525 . . . . 25.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.35 -40.87 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.281 -0.168 . . . . 50.0 110.754 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.46 -52.77 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.429 0.633 . . . . 50.0 109.551 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.71 -22.59 66.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.944 0.72 . . . . 50.0 112.944 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -30.25 71.36 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.893 -0.504 . . . . 50.0 110.566 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.65 -27.06 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.77 -0.581 . . . . 50.0 111.556 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -73.68 -27.75 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.222 -0.591 . . . . 50.0 110.143 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.25 -21.44 56.35 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.854 0.359 . . . . 50.0 110.35 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.62 -37.4 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.714 0.292 . . . . 50.0 110.877 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -26.77 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.934 -0.479 . . . . 50.0 110.336 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.68 -39.44 91.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.588 . . . . 50.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.44 -52.37 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.442 -0.799 . . . . 50.0 111.226 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -73.09 -25.85 61.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.56 76.16 78.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 113.166 0.802 . . . . 50.0 113.166 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.0 -14.64 32.29 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 CA-C-O 121.684 0.618 . . . . 50.0 112.295 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -13.02 54.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.599 . . . . 50.0 112.059 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -65.65 -51.15 51.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 121.569 -0.707 . . . . 50.0 111.374 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -70.38 -20.67 31.6 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 113.962 -3.559 . . . . 50.0 113.784 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -66.14 -43.54 86.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.93 -37.12 85.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.728 -1.212 . . . . 50.0 107.728 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.52 33.23 75.76 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-N 116.241 -0.436 . . . . 50.0 113.78 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.423 ' HB ' HH11 ' A' ' 55' ' ' ARG . 88.2 m -129.5 132.14 46.82 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -176.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mm -111.24 107.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 123.218 1.485 . . . . 50.0 110.655 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -155.1 164.49 38.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.529 -1.669 . . . . 50.0 108.033 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.25 -28.63 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.479 -0.328 . . . . 50.0 110.464 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.24 -38.4 86.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.05 0.452 . . . . 50.0 109.891 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.423 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.0 OUTLIER -78.0 -41.15 36.81 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.004 -0.544 . . . . 50.0 110.207 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -64.77 -31.05 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.455 0.539 . . . . 50.0 112.455 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -62.63 -41.67 99.16 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.027 -0.421 . . . . 50.0 111.459 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -56.69 -31.36 64.39 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.762 0.653 . . . . 50.0 112.762 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -39.42 82.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.484 0.659 . . . . 50.0 109.662 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.53 -35.83 62.77 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.466 -0.873 . . . . 50.0 110.959 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -62.63 -39.41 93.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -45.0 92.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 50.0 111.635 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -64.04 -37.63 88.15 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.306 -0.558 . . . . 50.0 109.731 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -64.31 -42.4 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.511 0.196 . . . . 50.0 110.668 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.55 -47.57 75.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.879 0.847 . . . . 50.0 110.31 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -37.3 80.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.351 -0.84 . . . . 50.0 110.016 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.66 -39.6 73.51 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.865 -0.607 . . . . 50.0 112.421 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -32.95 70.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.261 -0.899 . . . . 50.0 110.189 -177.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 m -66.19 -41.21 90.52 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -125.75 1.9 7.46 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.427 2.01 . . . . 50.0 116.427 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.29 -173.76 55.13 Favored Glycine 0 C--O 1.244 0.725 0 O-C-N 121.721 -0.612 . . . . 50.0 114.472 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.09 -9.69 26.05 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.777 1.652 . . . . 50.0 113.736 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.76 -19.63 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 50.0 110.41 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -106.84 -44.48 4.42 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.48 130.87 24.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.988 -1.856 . . . . 50.0 105.988 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -82.05 152.05 16.37 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 115.055 -2.83 . . . . 50.0 112.831 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.35 -20.75 27.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.856 -0.527 . . . . 50.0 111.443 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.0 t -70.97 -23.58 62.24 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.533 -0.73 . . . . 25.0 111.061 176.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.06 86.34 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 119.865 -0.734 . . . . 25.0 109.309 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.91 -32.94 67.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 50.0 110.68 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -46.3 73.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.61 -43.5 93.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.897 -0.592 . . . . 50.0 109.891 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -56.57 -38.29 71.76 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.237 -0.289 . . . . 50.0 111.033 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -69.2 -32.01 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 50.0 111.854 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.56 -41.92 98.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.77 -30.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 121.879 -0.513 . . . . 25.0 110.047 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -56.07 -49.92 72.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.881 -0.512 . . . . 50.0 109.973 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.98 -28.47 64.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.068 -0.653 . . . . 50.0 111.15 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.88 -43.46 88.26 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.173 -0.329 . . . . 50.0 110.967 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.91 -39.3 37.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 120.851 0.358 . . . . 50.0 110.3 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.06 -35.7 79.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.82 38.9 2.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.86 -0.609 . . . . 50.0 111.418 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -59.3 -24.28 63.15 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.008 0.432 . . . . 50.0 111.682 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.89 -42.37 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.747 0.819 . . . . 50.0 112.824 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.3 9.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.351 0.596 . . . . 50.0 110.784 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -124.6 77.87 63.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -66.92 -18.17 52.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.17 -1.42 . . . . 50.0 114.509 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -67.59 -48.5 66.66 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 107.654 -1.239 . . . . 50.0 107.654 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -26.0 21.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 C-N-CA 120.142 -0.623 . . . . 50.0 110.366 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -37.2 86.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 50.0 109.697 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.86 -28.85 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 25.0 110.285 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.36 -28.39 47.12 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.861 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.72 -53.26 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 107.673 -1.232 . . . . 50.0 107.673 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.73 87.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.038 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.41 -38.84 92.69 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.526 -0.47 . . . . 50.0 111.725 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.1 m -67.19 -42.78 83.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.99 -43.68 91.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.384 -0.198 . . . . 50.0 110.972 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.53 -40.86 98.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.245 -0.284 . . . . 50.0 111.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.32 -41.56 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.601 -0.518 . . . . 50.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.31 -37.74 88.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.118 -0.364 . . . . 50.0 110.816 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.897 0.702 . . . . 50.0 112.897 176.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.452 ' H ' ' HA ' ' A' ' 36' ' ' ASP . . . . . . . . 0 C--O 1.234 0.111 0 CA-C-O 120.019 -0.323 . . . . 50.0 113.792 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -62.11 -45.19 94.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.576 0.688 . . . . 50.0 110.886 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.39 -26.08 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.074 -0.65 . . . . 50.0 110.856 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.85 -40.33 94.98 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.018 -0.426 . . . . 50.0 110.698 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -66.6 -15.57 63.55 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.18 0.807 . . . . 50.0 113.18 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.6 -15.82 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.82 0.343 . . . . 50.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -83.63 90.52 7.28 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -48.87 -36.65 17.5 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.315 1.968 . . . . 50.0 116.315 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -60.3 -45.47 93.27 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.06 0.933 . . . . 50.0 110.736 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -70.59 -42.62 70.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.421 -1.263 . . . . 50.0 109.799 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.99 -37.91 50.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.127 -0.942 . . . . 50.0 110.985 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -58.52 -41.81 86.3 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.808 1.186 . . . . 50.0 113.278 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.472 -0.767 . . . . 50.0 110.889 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -29.67 69.93 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.168 0.509 . . . . 50.0 111.023 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.8 -41.79 98.18 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.595 0.758 . . . . 50.0 109.921 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -71.18 -39.04 72.1 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.371 -0.603 . . . . 50.0 109.371 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.32 93.0 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.13 -41.51 98.32 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.888 -0.782 . . . . 50.0 108.888 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -66.6 -43.08 85.79 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.951 0.723 . . . . 50.0 112.951 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 t -73.6 -20.46 60.6 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.529 -0.468 . . . . 25.0 111.345 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -79.04 -25.67 43.2 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.96 11.0 81.31 Favored Glycine 0 C--O 1.238 0.353 0 CA-C-O 121.579 0.544 . . . . 50.0 111.779 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.43 130.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.539 0.685 . . . . 50.0 109.538 -175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -96.77 84.59 3.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 50.0 108.446 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.6 t -144.47 142.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.899 -1.889 . . . . 50.0 105.899 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -65.95 140.58 58.33 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -49.46 68.27 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.959 1.096 . . . . 50.0 113.959 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.12 73.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.696 0.284 . . . . 25.0 111.479 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.62 -38.2 70.83 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.25 -51.74 66.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.766 0.793 . . . . 50.0 108.929 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.08 -20.55 65.83 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.673 -0.694 . . . . 50.0 112.499 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -66.02 -31.67 72.7 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.079 -1.013 . . . . 50.0 110.411 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -77.33 -23.85 50.87 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.291 -0.88 . . . . 50.0 111.456 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.82 -30.08 68.55 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.598 -1.26 . . . . 50.0 107.598 170.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HA ' ' H ' ' A' ' 2' ' ' GLY . 12.2 t70 -73.95 -33.59 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.264 0.554 . . . . 50.0 111.434 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -63.69 -24.41 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 50.0 111.661 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.5 t -58.35 -43.43 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 116.335 -0.393 . . . . 50.0 109.951 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.14 -36.3 82.78 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.655 -0.818 . . . . 50.0 109.342 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.63 -55.78 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -29.09 45.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -130.01 68.31 80.72 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.36 -0.382 . . . . 50.0 110.912 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.71 -14.57 36.42 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.799 1.038 . . . . 50.0 114.799 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -9.66 57.88 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -69.88 -52.84 12.61 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.531 -0.731 . . . . 50.0 111.379 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.03 -15.06 35.96 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 114.573 -3.151 . . . . 50.0 114.205 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -61.85 -37.4 84.38 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.955 0.407 . . . . 50.0 110.73 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -75.48 -24.92 56.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 50.0 110.747 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.98 27.03 59.13 Favored Glycine 0 C--O 1.228 -0.232 0 CA-C-N 115.684 -0.689 . . . . 50.0 114.41 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.8 m -128.99 129.02 44.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.17 90.61 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 123.644 1.687 . . . . 50.0 110.109 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -124.57 158.69 32.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 104.549 -2.389 . . . . 50.0 104.549 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 tp -62.61 -30.09 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 112.035 0.383 . . . . 50.0 112.035 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -67.65 -32.99 74.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.76 -0.587 . . . . 50.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -81.18 -32.12 33.71 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -64.47 -27.29 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.042 0.386 . . . . 50.0 112.042 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -53.98 -44.8 71.1 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -53.72 -32.97 54.02 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 113.968 1.099 . . . . 50.0 113.968 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.74 -39.24 77.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 -176.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.86 -35.18 51.21 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.213 -1.155 . . . . 50.0 110.213 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.07 -39.12 91.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -45.78 90.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 50.0 111.348 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.26 -38.51 91.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.971 -0.752 . . . . 50.0 108.971 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.17 -38.35 78.66 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 111.668 0.248 . . . . 50.0 111.668 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.03 -41.56 81.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.905 0.859 . . . . 50.0 110.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.04 -36.91 85.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.608 -0.886 . . . . 50.0 108.608 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.82 -37.75 82.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.155 -0.475 . . . . 50.0 110.456 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.96 -31.53 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 50.0 110.108 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.0 m -69.44 -46.91 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.19 1.04 6.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.236 2.31 . . . . 50.0 117.236 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.69 -170.29 51.61 Favored Glycine 0 C--O 1.242 0.625 0 C-N-CA 120.63 -0.795 . . . . 50.0 114.336 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.66 -7.16 20.62 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.162 1.908 . . . . 50.0 115.659 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.53 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.218 -0.301 . . . . 50.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -110.0 -37.69 5.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.611 0.597 . . . . 50.0 112.611 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.62 131.15 24.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 106.085 -1.82 . . . . 50.0 106.085 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.46 152.75 26.75 Favored 'Trans proline' 0 CA--C 1.517 -0.367 0 C-N-CA 115.339 -2.64 . . . . 50.0 111.699 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.9 -20.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 121.831 -0.543 . . . . 50.0 110.644 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -73.14 -20.34 60.94 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.776 -0.578 . . . . 25.0 111.385 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.09 80.41 Favored 'General case' 0 C--O 1.221 -0.398 0 O-C-N 121.639 -0.663 . . . . 25.0 109.413 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -73.42 -30.35 63.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 50.0 111.08 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -71.09 -44.62 65.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.483 -0.932 . . . . 50.0 108.483 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.07 -45.36 95.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.539 -0.755 . . . . 50.0 109.618 175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.53 -39.23 79.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.95 0.405 . . . . 50.0 111.77 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -64.67 -29.81 70.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 50.0 111.356 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.94 -40.04 83.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 121.261 0.553 . . . . 50.0 110.442 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.85 -30.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 121.282 -0.887 . . . . 25.0 108.845 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -59.78 -46.86 87.87 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.858 -0.526 . . . . 50.0 110.355 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.17 -31.78 71.57 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.798 0.726 . . . . 50.0 109.846 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.04 -39.67 79.04 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 112.651 0.612 . . . . 50.0 112.651 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.12 -42.33 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.635 0.652 . . . . 50.0 109.646 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.64 -35.19 73.89 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.991 0.424 . . . . 50.0 110.211 -175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -116.63 36.75 4.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.488 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -64.62 -19.04 65.45 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.075 0.464 . . . . 50.0 110.202 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.15 -27.23 66.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.858 1.059 . . . . 50.0 113.858 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.1 m -120.37 11.79 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.293 0.568 . . . . 50.0 110.996 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -124.71 77.92 64.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.039 -1.097 . . . . 50.0 108.039 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.24 -20.46 49.3 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.245 -1.37 . . . . 50.0 115.003 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.04 -44.56 95.54 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.679 -0.86 . . . . 50.0 108.679 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.47 -30.3 7.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-N 115.545 -0.752 . . . . 50.0 110.523 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -40.87 86.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.934 0.788 . . . . 50.0 110.633 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.14 71.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.141 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.03 -30.71 34.81 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.5 -49.3 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.75 96.29 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.268 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.14 -34.4 77.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.831 0.678 . . . . 50.0 112.831 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 m -69.26 -39.0 78.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.94 -37.1 83.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 119.712 -0.185 . . . . 50.0 110.933 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.07 -50.67 63.33 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 50.0 111.37 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.44 -37.17 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.893 -0.594 . . . . 50.0 109.889 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.65 -30.52 71.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.352 0.871 . . . . 50.0 113.352 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp . . . . . 0 N--CA 1.474 0.76 0 CA-C-N 118.56 0.618 . . . . 50.0 111.162 175.382 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.352 0 CA-C-O 119.739 -0.478 . . . . 50.0 112.497 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.07 -34.69 78.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.739 0.769 . . . . 50.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -72.29 -35.73 68.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 50.0 109.822 178.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.56 -39.71 84.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.32 0.489 . . . . 50.0 112.32 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -13.55 32.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 169.078 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -98.21 -17.52 18.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.703 0.763 . . . . 50.0 109.562 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -86.24 96.73 10.04 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 107.788 -1.19 . . . . 50.0 107.788 177.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.72 -38.95 57.43 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -176.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -58.4 -37.77 76.0 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.955 -0.466 . . . . 50.0 111.487 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.27 -39.39 54.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.35 0.595 . . . . 50.0 110.209 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.94 -42.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 115.669 -0.696 . . . . 50.0 112.019 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 119.267 0.939 . . . . 50.0 112.316 -178.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.316 0.579 . . . . 50.0 110.041 176.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -30.72 67.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.958 -0.464 . . . . 50.0 112.251 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.6 -40.48 87.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.961 -1.126 . . . . 50.0 107.961 174.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.93 -47.5 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.16 -0.682 . . . . 50.0 109.16 177.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.94 96.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.788 1.032 . . . . 25.0 113.788 -176.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 mp -62.3 -40.85 97.64 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.41 -41.63 72.72 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 p -66.76 -30.69 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.737 0.303 . . . . 25.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -73.08 -25.86 61.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 50.0 110.048 176.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 7.55 73.95 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-O 121.542 0.523 . . . . 50.0 111.814 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.63 133.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 107.648 -1.241 . . . . 50.0 107.648 -175.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -100.72 84.24 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.854 -0.612 . . . . 50.0 109.997 -170.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.22 139.44 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 50.0 106.808 -178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.22 138.07 58.23 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.421 -1.696 . . . . 50.0 106.421 176.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.14 -48.01 74.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 -174.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -35.18 76.01 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.826 0.346 . . . . 25.0 111.37 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -76.39 -28.37 56.69 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.708 -0.223 . . . . 50.0 110.687 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.89 -49.62 56.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.266 -1.383 . . . . 50.0 107.266 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.71 0.633 . . . . 50.0 112.71 178.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.92 -35.04 75.66 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.843 -0.536 . . . . 50.0 110.455 174.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.85 -23.96 52.69 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.463 -0.773 . . . . 50.0 111.354 177.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.66 -19.94 60.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.143 -1.058 . . . . 50.0 108.143 173.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.95 -34.8 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.484 0.659 . . . . 50.0 110.246 177.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.57 -35.27 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 -176.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -35.04 68.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 O-C-N 122.068 -0.395 . . . . 50.0 110.164 178.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.82 -36.59 84.4 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.114 -0.366 . . . . 50.0 111.011 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.43 -53.52 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 50.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -73.88 -29.0 61.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.467 0.651 . . . . 25.0 112.64 -177.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.2 m -120.96 80.23 33.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.303 -0.408 . . . . 50.0 110.054 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.96 -13.37 31.6 Favored 'Trans proline' 0 C--N 1.344 0.318 0 CA-C-O 121.48 0.533 . . . . 50.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.77 -19.95 28.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 50.0 111.916 176.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.35 -46.18 90.1 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 113.043 0.757 . . . . 50.0 113.043 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.99 -21.54 32.28 Favored 'Trans proline' 0 C--N 1.358 1.068 1 C-N-CA 112.8 -4.333 . . . . 50.0 113.662 177.061 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -75.65 -25.93 57.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.407 0.146 . . . . 50.0 111.165 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.1 -26.91 65.16 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.384 -0.598 . . . . 50.0 109.384 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.74 53.92 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.713 0.645 . . . . 50.0 114.713 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -129.37 128.86 43.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.358 0.579 . . . . 25.0 110.211 -174.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.0 mm -113.36 111.36 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 122.902 1.334 . . . . 50.0 109.988 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -155.94 163.07 40.21 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.752 -1.567 . . . . 50.0 107.823 175.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.15 -32.79 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.358 -178.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -67.74 -29.85 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.894 -0.504 . . . . 50.0 109.679 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.36 43.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -61.27 -27.2 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.014 1.116 . . . . 50.0 114.014 -177.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.38 -49.28 67.54 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.013 0.435 . . . . 75.0 109.856 177.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -59.84 -27.59 66.77 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 113.617 0.969 . . . . 50.0 113.617 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.6 -40.1 83.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.46 0.648 . . . . 50.0 109.751 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -34.03 51.02 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.408 -0.901 . . . . 50.0 110.923 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 176.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -43.26 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.639 -0.709 . . . . 50.0 111.882 178.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.72 -35.0 75.24 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -67.97 -45.94 72.79 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.877 -0.329 . . . . 50.0 110.716 -178.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.44 -37.99 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.049 0.452 . . . . 50.0 110.506 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.19 -36.99 82.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -66.72 -39.82 88.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.721 -0.218 . . . . 50.0 110.641 175.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.3 -34.27 77.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.015 -0.428 . . . . 50.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 m -82.19 -42.19 19.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -117.11 2.72 12.67 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.293 1.59 . . . . 50.0 115.293 -172.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.73 -175.26 53.61 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 116.175 1.23 . . . . 50.0 116.175 175.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.71 -13.21 34.48 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.696 1.598 . . . . 50.0 113.384 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.72 -15.22 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 50.0 110.873 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.79 -41.4 4.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 112.112 0.412 . . . . 50.0 112.112 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.09 130.81 24.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 106.927 -1.509 . . . . 50.0 106.927 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.67 154.14 17.86 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 115.764 -2.357 . . . . 50.0 110.655 173.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.44 -20.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 121.453 -0.78 . . . . 50.0 110.889 177.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -75.55 -18.16 59.86 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.663 -0.648 . . . . 25.0 111.651 177.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.54 80.57 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.501 -0.749 . . . . 25.0 109.501 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.79 -31.61 70.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.56 . . . . 50.0 110.751 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -72.86 -45.02 60.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.517 -0.549 . . . . 50.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.51 -45.25 94.99 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.523 -0.918 . . . . 50.0 108.523 175.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -57.55 -38.36 74.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.754 0.311 . . . . 50.0 111.306 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.16 -34.19 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 50.0 110.808 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.96 -46.0 86.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.7 -32.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.52 -44.95 85.49 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 121.57 -0.706 . . . . 50.0 110.578 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.07 -24.57 60.69 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.242 -0.983 . . . . 50.0 110.815 -178.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.13 -38.8 79.03 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.166 -0.333 . . . . 50.0 110.693 177.08 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -78.18 -39.37 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.174 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.65 94.97 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.942 -0.762 . . . . 50.0 108.942 179.365 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -100.99 33.96 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.594 -0.73 . . . . 50.0 112.273 -176.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? -59.38 -26.84 65.45 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.003 0.43 . . . . 50.0 111.027 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -61.23 -33.99 74.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.988 1.107 . . . . 50.0 113.988 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.58 10.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.554 0.692 . . . . 50.0 110.436 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.05 77.83 66.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.19 -20.39 32.86 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 117.28 -1.347 . . . . 50.0 114.377 -176.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -69.2 -38.39 78.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.71 -28.64 6.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 C-N-CA 120.936 -0.306 . . . . 50.0 110.838 178.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -60.38 -40.69 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.214 0.53 . . . . 50.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.02 -27.97 69.48 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.537 -0.727 . . . . 25.0 110.932 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 -30.43 35.7 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 122.123 -0.361 . . . . 25.0 110.529 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.2 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 107.575 -1.269 . . . . 50.0 107.575 175.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.632 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.73 -37.26 85.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.986 0.736 . . . . 50.0 112.986 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.0 m -62.28 -40.87 97.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.493 -0.928 . . . . 25.0 108.493 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -63.41 -43.1 98.48 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.323 -0.551 . . . . 50.0 111.426 176.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.67 -43.36 97.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.348 0.594 . . . . 50.0 110.696 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.79 -43.59 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.79 -0.641 . . . . 50.0 109.494 -178.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.48 -41.64 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.02 -0.425 . . . . 50.0 111.809 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 mttt . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.268 0.47 . . . . 50.0 112.268 -179.554 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.287 0 N-CA-C 110.837 -0.905 . . . . 50.0 110.837 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -65.3 -39.96 93.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 177.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.95 -42.83 89.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.343 0.592 . . . . 50.0 110.587 179.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.72 -39.46 77.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 176.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -62.42 -21.21 65.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 174.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.63 -19.68 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.541 -0.911 . . . . 50.0 108.541 -176.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -85.98 87.53 7.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.398 -0.819 . . . . 50.0 109.156 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -40.5 9.58 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.729 1.381 . . . . 50.0 114.729 -178.312 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.81 -35.91 77.71 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.03 0.752 . . . . 50.0 113.03 178.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -76.27 -38.93 55.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.43 0.633 . . . . 50.0 109.512 176.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.45 -36.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.67 -0.695 . . . . 50.0 109.805 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.9 -42.73 76.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.813 0.672 . . . . 50.0 112.813 178.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -70.24 -39.03 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.815 -0.553 . . . . 50.0 110.237 178.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.83 -23.67 62.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.956 0.724 . . . . 50.0 112.956 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.57 -35.5 76.23 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.862 -1.162 . . . . 50.0 107.862 176.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -78.21 -45.7 22.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.79 81.33 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -175.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.96 -39.82 91.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.947 -1.131 . . . . 75.0 107.947 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.37 -48.43 64.77 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 t -69.94 -23.68 63.23 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -173.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -23.49 48.28 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 175.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.67 15.97 76.6 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.646 -0.981 . . . . 50.0 110.646 -176.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.89 93.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 123.607 1.67 . . . . 50.0 108.254 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.3 84.34 5.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.01 -1.45 . . . . 50.0 110.251 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.49 162.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.027 -1.101 . . . . 50.0 108.027 179.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -69.9 140.44 53.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.016 -1.846 . . . . 50.0 106.016 175.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -48.54 78.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.67 77.56 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.618 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -72.31 -28.37 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.959 -0.386 . . . . 50.0 109.959 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -56.78 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.801 -0.76 . . . . 50.0 109.106 176.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.32 -22.99 55.17 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.58 1.326 . . . . 50.0 114.58 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.53 -37.8 65.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.471 0.653 . . . . 50.0 110.165 174.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -77.24 -23.78 51.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -67.38 -28.25 67.78 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.64 -1.245 . . . . 50.0 107.64 173.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -26.13 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.296 0.57 . . . . 50.0 111.13 178.073 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.68 -40.37 88.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 50.0 111.364 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -33.48 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.765 -0.584 . . . . 50.0 110.582 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.57 71.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -53.47 11.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 -177.159 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.52 -29.25 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.795 0.807 . . . . 25.0 112.096 -178.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.55 77.82 55.1 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.597 -0.728 . . . . 50.0 110.651 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.26 -16.17 35.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 CA-C-O 121.687 0.619 . . . . 50.0 111.959 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 -17.82 58.77 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.835 -0.621 . . . . 50.0 111.961 176.004 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -53.61 27.35 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 121.427 -0.796 . . . . 50.0 111.376 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.48 -20.5 27.21 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.438 -3.908 . . . . 50.0 113.624 175.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.45 -36.19 83.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.031 0.443 . . . . 50.0 110.409 177.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -76.0 -23.53 55.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 50.0 110.847 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.41 24.61 52.71 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 114.636 0.614 . . . . 50.0 114.636 177.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 m -128.32 126.89 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -175.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.5 mt -119.22 101.07 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.919 1.342 . . . . 50.0 110.046 -175.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -141.69 164.26 30.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.422 -2.436 . . . . 50.0 104.422 176.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.5 -28.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.237 -0.185 . . . . 50.0 111.378 -177.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.78 -32.24 73.67 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.442 -0.786 . . . . 50.0 109.956 175.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -78.89 -41.47 29.63 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -68.91 -32.01 71.33 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -177.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -63.11 -39.44 94.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.36 -0.837 . . . . 50.0 110.516 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -57.76 -27.82 63.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.62 -39.47 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.559 0.695 . . . . 50.0 109.417 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.03 -35.02 58.05 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.674 -0.971 . . . . 50.0 110.674 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.75 -39.7 92.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.62 -43.83 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.671 . . . . 50.0 111.851 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -62.22 -39.06 91.54 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.319 -0.623 . . . . 50.0 109.319 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.92 -43.04 89.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.22 -0.289 . . . . 50.0 110.22 -177.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.47 -44.35 82.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.587 0.708 . . . . 50.0 111.236 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.14 -34.7 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.178 0.513 . . . . 50.0 109.987 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.58 -38.32 80.58 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.382 -0.372 . . . . 50.0 110.223 177.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -67.47 -33.39 75.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.51 . . . . 50.0 109.756 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.5 m -71.39 -45.97 61.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -178.261 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.55 6.38 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.737 2.495 . . . . 50.0 117.737 -172.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.8 -172.23 55.17 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.869 1.108 . . . . 50.0 115.869 175.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -69.82 -12.36 32.64 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.998 1.799 . . . . 50.0 114.071 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.13 -18.37 63.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.341 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -113.02 -38.55 4.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.751 0.648 . . . . 50.0 112.751 -178.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.0 t -122.38 130.94 24.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 105.584 -2.006 . . . . 50.0 105.584 173.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.23 154.15 24.87 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 114.91 -2.926 . . . . 50.0 111.572 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.9 -21.68 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.71 -0.619 . . . . 50.0 110.849 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.93 -17.79 60.51 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.67 -0.644 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.01 77.36 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 120.226 -0.59 . . . . 25.0 109.627 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -71.03 -30.43 66.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 50.0 111.44 178.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.7 t -73.32 -44.76 58.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.244 -1.021 . . . . 50.0 108.244 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.62 -43.79 98.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 50.0 109.58 175.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -58.68 -37.46 76.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.779 0.323 . . . . 50.0 111.68 -179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.85 -32.36 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.481 -0.327 . . . . 50.0 111.221 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.29 -47.08 77.9 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.408 0.623 . . . . 50.0 110.401 178.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.42 -29.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -59.83 -46.53 88.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.698 -0.626 . . . . 50.0 110.527 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.02 -30.76 68.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.345 0.975 . . . . 50.0 110.227 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.05 -46.57 90.17 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 120.48 0.181 . . . . 50.0 110.922 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.27 -39.9 19.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.552 -0.459 . . . . 50.0 110.944 -178.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.03 -34.8 73.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.161 -0.337 . . . . 50.0 110.34 -176.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -114.52 32.34 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.913 0.338 . . . . 50.0 111.913 178.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.56 -20.07 65.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.381 0.61 . . . . 50.0 109.955 176.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -59.63 -28.39 67.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.093 1.145 . . . . 50.0 114.093 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 m -118.8 10.66 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.334 0.588 . . . . 50.0 110.893 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.99 86.07 58.4 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.191 -0.459 . . . . 50.0 109.993 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -66.47 -21.62 53.0 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 117.034 -1.511 . . . . 50.0 114.374 -177.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -59.91 -46.05 90.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.88 -32.58 7.61 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.541 0 CA-C-N 115.367 -0.833 . . . . 50.0 110.365 -174.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -39.78 90.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.387 0.54 . . . . 50.0 110.486 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.94 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.99 -0.444 . . . . 25.0 110.388 176.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.6 57.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.42 -48.92 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 177.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.59 98.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.97 -38.8 92.55 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.32 -0.552 . . . . 50.0 111.534 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.0 m -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.133 -0.627 . . . . 25.0 109.332 -178.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.49 -47.88 82.64 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.066 -0.654 . . . . 50.0 110.744 178.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.8 -35.33 79.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 -177.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.5 mt -66.87 -40.0 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 176.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.45 -37.46 85.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.943 -0.473 . . . . 50.0 110.705 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.5 mttt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.785 0.326 . . . . 50.0 111.214 177.908 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.099 0 N-CA-C 112.579 -0.208 . . . . 50.0 112.579 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.29 -37.55 85.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.919 -0.754 . . . . 50.0 110.326 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.91 -40.33 96.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.897 -0.502 . . . . 50.0 110.495 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.82 -19.14 65.68 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.741 1.015 . . . . 50.0 113.741 172.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -92.9 -21.02 20.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 -177.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -88.22 89.74 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.949 -1.13 . . . . 50.0 107.949 177.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.14 -29.29 63.48 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.871 1.434 . . . . 50.0 114.871 -173.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.78 -45.85 81.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.489 0.661 . . . . 50.0 110.312 174.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -69.81 -43.03 72.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.634 . . . . 50.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.83 -42.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 50.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 24.4 tt0 -61.29 -44.09 97.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -177.056 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -39.81 80.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.545 -0.909 . . . . 50.0 108.545 178.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.86 -23.47 67.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -177.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 49.7 mttm -51.34 -36.04 41.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.801 -0.444 . . . . 50.0 109.801 176.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -77.86 -41.64 36.17 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 50.0 111.775 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -31.51 72.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.986 0.422 . . . . 25.0 111.564 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.9 -35.62 78.91 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 174.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? -78.54 -36.33 44.87 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.03 1.122 . . . . 50.0 114.03 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -66.26 -11.74 52.11 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -175.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HE ' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.9 -20.86 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.074 -0.391 . . . . 50.0 110.795 174.503 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.95 13.41 82.6 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.055 -0.593 . . . . 50.0 113.952 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.74 154.91 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.697 -1.594 . . . . 50.0 106.697 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 84.34 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.174 0.511 . . . . 50.0 111.273 -176.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.75 154.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.409 0.623 . . . . 50.0 109.692 176.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -104.67 157.33 17.26 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 107.911 -1.144 . . . . 50.0 107.911 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.18 -44.54 94.98 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.979 -0.451 . . . . 50.0 110.255 173.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.26 68.44 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 120.743 0.306 . . . . 25.0 111.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -76.65 -54.63 6.4 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.109 -0.701 . . . . 50.0 109.109 177.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -49.19 74.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.107 0.78 . . . . 75.0 113.107 -177.325 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.38 -22.14 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.836 -0.54 . . . . 50.0 112.182 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.04 -35.34 73.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.316 -0.553 . . . . 50.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.41 -23.78 54.03 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.533 -0.73 . . . . 50.0 111.88 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -75.42 -26.98 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.763 -0.585 . . . . 50.0 110.336 170.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.76 -33.98 73.16 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.172 -1.047 . . . . 50.0 108.172 172.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.65 -30.92 70.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.684 -0.235 . . . . 50.0 110.963 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.65 -46.7 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.215 0 N-CA-C 107.461 -1.311 . . . . 50.0 107.461 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -62.22 -41.55 98.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.746 -0.661 . . . . 50.0 109.89 -173.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.32 -49.71 68.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 50.0 111.879 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -78.08 -29.15 48.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.505 0.669 . . . . 25.0 112.18 -176.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.09 75.62 78.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 122.8 0.44 . . . . 50.0 111.355 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.06 -15.18 32.3 Favored 'Trans proline' 0 C--N 1.343 0.281 0 CA-C-O 121.54 0.558 . . . . 50.0 112.47 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.88 -15.76 52.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.772 -0.649 . . . . 50.0 112.101 176.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -64.99 -52.65 47.73 Favored Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 121.46 -0.775 . . . . 50.0 111.09 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -70.0 -21.17 32.74 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 113.496 -3.87 . . . . 50.0 113.619 177.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.79 -38.78 89.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.608 0.242 . . . . 50.0 111.279 178.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 55' ' ' ARG . 38.1 mt-10 -77.87 -15.2 59.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.194 -0.316 . . . . 50.0 110.744 178.233 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.48 23.02 40.81 Favored Glycine 0 C--O 1.225 -0.462 0 N-CA-C 117.383 1.713 . . . . 50.0 117.383 171.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 m -127.19 133.18 50.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.881 0.84 . . . . 25.0 109.87 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.98 107.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 122.261 1.029 . . . . 50.0 111.134 -173.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.2 162.08 40.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.977 -1.86 . . . . 50.0 105.977 176.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.72 -31.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 112.757 0.651 . . . . 50.0 112.757 -178.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -66.18 -29.48 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.588 -0.695 . . . . 50.0 109.561 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 48' ' ' GLU . 32.9 mtt-85 -85.09 -38.46 19.08 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.597 -0.274 . . . . 50.0 111.371 176.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -64.24 -30.5 71.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.878 0.371 . . . . 50.0 111.379 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -59.87 -43.12 94.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.13 -0.356 . . . . 50.0 110.952 177.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.95 -29.22 65.01 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.879 1.066 . . . . 50.0 113.879 175.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.8 -38.08 80.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.82 -34.33 53.41 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.044 -0.822 . . . . 50.0 111.044 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.59 -39.37 93.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 176.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.44 95.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.554 178.033 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.27 -34.89 79.15 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.348 -0.541 . . . . 50.0 109.922 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -69.42 -37.59 77.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.803 0.335 . . . . 50.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.89 -47.42 74.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 50.0 109.632 178.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.76 -32.62 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 50.0 110.834 179.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.32 -42.76 78.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.184 177.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -66.08 -24.22 66.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.994 0.738 . . . . 50.0 112.994 -172.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 m -58.05 -41.21 82.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.356 -178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.22 -44.67 1.57 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.392 1.627 . . . . 50.0 115.392 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.99 -163.86 24.79 Favored Glycine 0 C--O 1.24 0.508 0 N-CA-C 111.826 -0.51 . . . . 50.0 111.826 -174.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.93 -10.81 29.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.366 1.377 . . . . 50.0 114.33 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.64 -20.56 59.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.25 0.548 . . . . 50.0 110.121 176.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.74 -44.76 7.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.231 -0.44 . . . . 50.0 112.006 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.33 130.84 23.66 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 105.4 -2.074 . . . . 50.0 105.4 175.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.83 153.31 29.38 Favored 'Trans proline' 0 CA--C 1.514 -0.477 0 C-N-CA 114.889 -2.941 . . . . 50.0 112.334 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.59 -21.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.812 -0.555 . . . . 50.0 111.46 177.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -71.05 -21.8 62.21 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.473 -0.767 . . . . 25.0 110.797 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.06 82.58 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 119.775 -0.77 . . . . 25.0 109.543 177.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -74.67 -29.05 61.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.867 0.365 . . . . 50.0 110.848 177.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.5 t -70.7 -44.67 66.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.79 -42.64 97.69 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.726 -0.67 . . . . 50.0 109.797 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -58.99 -38.65 79.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.073 -0.392 . . . . 50.0 111.324 178.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -66.45 -28.72 68.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 50.0 111.368 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.508 HD11 ' HE ' ' A' ' 22' ' ' ARG . 37.0 tp -64.6 -47.92 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 121.198 0.523 . . . . 50.0 110.276 176.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.55 -29.59 27.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 120.943 -1.098 . . . . 25.0 108.563 -178.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -59.4 -51.34 70.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 176.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -69.44 -30.34 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 50.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.68 -43.77 79.39 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 112.465 0.543 . . . . 50.0 112.465 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.61 -39.3 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.05 -27.54 68.96 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.106 0.479 . . . . 50.0 110.558 -178.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -123.64 36.28 4.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.413 177.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.55 -16.75 64.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.164 0.507 . . . . 50.0 111.975 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.85 -32.75 74.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.567 -0.742 . . . . 50.0 111.614 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.61 8.51 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.574 -0.739 . . . . 50.0 110.758 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -123.83 80.63 56.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 177.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.51 -20.98 53.64 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 117.141 -1.439 . . . . 50.0 114.683 -174.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -65.22 -49.05 71.16 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.464 -0.939 . . . . 50.0 108.464 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.7 -30.47 29.11 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 118.776 -1.169 . . . . 50.0 110.308 -176.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -40.67 91.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.642 0.655 . . . . 50.0 110.218 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 25.0 110.381 176.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.68 48.58 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.52 -47.96 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 107.551 -1.277 . . . . 50.0 107.551 177.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.81 73.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.458 179.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.71 -37.41 86.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.045 0.758 . . . . 50.0 113.045 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 m -67.92 -39.08 83.61 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.4 -40.25 96.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.044 -0.662 . . . . 50.0 110.942 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.22 -45.71 92.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.123 0.487 . . . . 50.0 109.824 178.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.31 -40.39 82.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.832 -177.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.72 -38.44 91.14 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.015 -0.428 . . . . 50.0 110.984 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.634 0.605 . . . . 50.0 112.634 -178.936 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.293 0 N-CA-C 116.977 1.551 . . . . 50.0 116.977 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.31 -27.47 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.661 1.231 . . . . 50.0 113.325 -178.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.26 -31.11 60.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 177.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.99 -35.59 80.98 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.168 -0.333 . . . . 50.0 111.085 -176.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -18.17 57.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.142 1.534 . . . . 50.0 115.142 173.317 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.47 -18.04 18.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 50.0 110.495 -178.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -82.03 92.47 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.114 -0.493 . . . . 50.0 110.69 -176.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.02 -39.01 65.75 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 113.203 0.816 . . . . 50.0 113.203 -173.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -56.25 -33.33 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -88.21 -40.3 13.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.51 . . . . 50.0 110.278 178.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.5 t -58.36 -32.47 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.767 176.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.96 -44.7 67.32 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.357 0.526 . . . . 50.0 111.356 175.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -72.24 -41.07 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.947 -0.301 . . . . 50.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.23 -24.81 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.74 -35.8 77.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 175.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -83.77 -40.5 18.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.454 176.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.78 78.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -175.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.28 -42.49 98.73 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.181 -1.415 . . . . 50.0 107.181 176.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -64.4 -43.91 92.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.749 -1.114 . . . . 50.0 112.068 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -20.02 61.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -175.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.697 -0.483 . . . . 50.0 109.697 173.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.09 19.7 78.61 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.186 -0.53 . . . . 50.0 111.91 -177.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.04 119.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.391 1.091 . . . . 50.0 111.139 -174.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.38 84.41 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.192 -0.913 . . . . 50.0 109.653 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.07 153.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 177.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -69.91 133.59 47.49 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.789 -2.3 . . . . 50.0 104.789 176.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.762 0.282 . . . . 50.0 111.762 -175.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.5 71.25 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.369 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.35 -40.78 64.15 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 110.209 -0.293 . . . . 50.0 110.209 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.1 -50.62 72.97 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.57 -30.6 71.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.584 -0.734 . . . . 50.0 112.736 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -63.65 -28.93 70.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.802 -0.561 . . . . 50.0 111.436 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.0 -24.14 59.54 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.107 -0.996 . . . . 50.0 112.039 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.29 -27.24 62.34 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.536 0.684 . . . . 50.0 109.703 169.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.32 -29.26 61.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.283 0.563 . . . . 50.0 109.592 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -67.76 -36.58 80.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.429 178.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -23.51 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.909 0.385 . . . . 50.0 111.032 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.14 -35.68 79.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 50.0 110.04 -177.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.96 -39.2 66.38 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.692 0.758 . . . . 50.0 110.457 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -32.0 42.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.415 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -136.65 78.67 42.56 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.502 -0.772 . . . . 50.0 112.133 -175.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.87 -17.21 32.71 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 CA-C-O 121.7 0.625 . . . . 50.0 112.305 178.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -10.59 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 50.0 112.213 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -69.14 -53.01 14.55 Favored Pre-proline 0 CA--C 1.545 0.76 0 O-C-N 121.29 -0.881 . . . . 50.0 111.481 178.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.13 -20.96 37.1 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 114.486 -3.209 . . . . 50.0 113.544 176.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -62.59 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.95 0.405 . . . . 50.0 110.177 177.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -73.81 -38.06 64.69 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 50.0 110.078 176.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.95 32.85 67.15 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 116.302 -0.408 . . . . 50.0 112.203 -178.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -120.14 121.37 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 -178.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.1 103.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 123.167 1.461 . . . . 50.0 110.972 -171.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -143.82 167.55 22.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 103.585 -2.746 . . . . 50.0 103.585 175.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.17 -26.69 38.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.069 0.395 . . . . 50.0 111.311 -178.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -67.23 -33.44 75.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.564 -0.71 . . . . 50.0 109.556 175.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -81.57 -25.07 36.12 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.704 0.402 . . . . 50.0 110.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -86.22 -26.82 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.843 0.457 . . . . 50.0 111.819 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -56.75 -48.78 77.05 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.182 0.438 . . . . 50.0 112.182 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -57.68 -23.11 49.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.078 1.14 . . . . 50.0 114.078 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.96 -35.29 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.253 -1.017 . . . . 50.0 108.253 -175.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.23 -36.48 55.86 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.505 -1.038 . . . . 50.0 110.505 178.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.96 -38.46 91.17 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -41.37 96.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 50.0 111.587 176.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.46 -36.61 83.01 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 178.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -67.03 -39.59 87.02 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.989 0.18 . . . . 50.0 110.846 -177.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.75 -32.85 60.14 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.797 -0.761 . . . . 50.0 111.193 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.24 -37.6 87.76 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.083 -1.08 . . . . 50.0 108.083 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -67.68 -36.05 79.98 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.936 -0.574 . . . . 50.0 110.559 176.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.38 -34.5 78.3 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.817 -0.552 . . . . 50.0 109.799 177.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -77.28 -43.73 32.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -123.61 4.72 8.92 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.223 1.934 . . . . 50.0 116.223 -173.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.62 -171.88 51.31 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 115.954 1.142 . . . . 50.0 115.954 176.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.11 -9.65 23.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.518 2.146 . . . . 50.0 115.619 -176.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.14 -26.86 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.686 -0.406 . . . . 50.0 110.984 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -94.82 -39.8 10.07 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.96 -0.296 . . . . 50.0 111.09 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.63 130.92 24.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 106.588 -1.634 . . . . 50.0 106.588 174.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.18 154.6 14.5 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 115.647 -2.435 . . . . 50.0 111.97 177.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.07 -20.8 27.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 121.689 -0.632 . . . . 50.0 110.652 176.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -74.33 -17.35 60.85 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.695 -0.628 . . . . 25.0 111.409 177.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.48 84.01 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.062 -0.655 . . . . 25.0 109.46 178.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.64 -30.12 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.166 0.508 . . . . 50.0 110.789 178.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -74.32 -45.09 49.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -60.41 -48.04 83.49 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 175.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -55.29 -38.95 69.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -67.68 -35.91 79.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.03 -177.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.68 -35.74 81.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.657 -0.701 . . . . 50.0 110.939 -178.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.83 -27.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 176.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -42.53 93.63 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.513 -0.742 . . . . 50.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.794 0.725 . . . . 50.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.08 -40.74 91.07 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.469 -0.145 . . . . 50.0 111.058 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.24 -40.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.748 -0.381 . . . . 50.0 110.163 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.52 -32.48 71.5 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.084 -0.385 . . . . 50.0 110.16 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -112.05 28.97 8.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 177.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -67.81 -18.98 65.02 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.345 0.593 . . . . 50.0 109.599 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.28 -32.14 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.864 -1.062 . . . . 50.0 112.929 176.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.53 7.46 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.586 0.708 . . . . 50.0 110.396 -178.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -124.88 82.62 60.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.865 -0.607 . . . . 50.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.75 -17.62 42.23 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.671 -1.086 . . . . 50.0 113.828 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -65.34 -43.22 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.199 -0.667 . . . . 50.0 109.199 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.71 -28.94 6.75 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 CA-C-N 115.921 -0.581 . . . . 50.0 110.53 179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -60.39 -36.99 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 118.515 0.598 . . . . 50.0 109.937 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.2 71.32 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.062 -0.399 . . . . 25.0 111.244 176.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.88 42.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 178.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.87 -51.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 178.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.64 98.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 25.0 110.177 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -62.18 -39.23 92.01 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.171 -0.612 . . . . 50.0 111.324 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -66.71 -36.47 82.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.529 -0.732 . . . . 25.0 109.628 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -62.1 -41.91 98.68 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.03 -0.419 . . . . 50.0 110.419 175.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -65.61 -45.84 81.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.281 0.563 . . . . 50.0 110.996 177.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 mt -64.3 -39.04 84.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 CA-C-N 116.048 -0.524 . . . . 50.0 111.649 -175.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -37.34 86.01 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.484 -0.486 . . . . 50.0 110.551 -178.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.448 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 31.0 mmtp . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 114.635 1.346 . . . . 50.0 114.635 176.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.17 0 N-CA-C 113.622 0.209 . . . . 50.0 113.622 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.16 -39.72 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 177.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -75.55 -38.29 59.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.508 -0.769 . . . . 50.0 111.622 -177.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.94 -38.19 87.98 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.818 -0.551 . . . . 50.0 111.25 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -68.77 -15.54 63.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 174.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -93.63 -21.32 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.42 0.628 . . . . 50.0 109.605 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.5 88.38 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 50.0 111.097 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -44.88 -43.76 9.1 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.307 1.595 . . . . 50.0 115.307 -175.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -42.46 99.39 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.736 -0.603 . . . . 50.0 110.583 -177.196 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.27 -44.27 75.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.761 -0.654 . . . . 50.0 109.312 177.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.83 -41.97 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.926 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.467 -0.771 . . . . 50.0 112.707 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -41.29 55.61 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 173.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.0 -23.5 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -52.28 -36.72 53.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 176.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.84 -50.57 12.02 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.678 176.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.7 98.98 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.859 1.429 . . . . 25.0 114.859 -176.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.485 -0.931 . . . . 50.0 108.485 178.152 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -68.73 -39.74 80.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 50.0 112.272 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -23.64 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.081 0.467 . . . . 25.0 112.016 -175.472 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.75 -16.88 58.11 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.905 -0.497 . . . . 50.0 111.392 176.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.69 1.19 61.19 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.956 -0.457 . . . . 50.0 111.956 -176.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -72.88 125.08 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.139 0.971 . . . . 50.0 109.493 -175.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -92.06 84.43 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 50.0 109.665 -176.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 m -133.27 157.48 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.604 . . . . 50.0 109.483 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -83.57 144.02 29.76 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 104.83 -2.285 . . . . 50.0 104.83 176.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -49.74 65.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.16 0.43 . . . . 50.0 112.16 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.65 70.09 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.782 -179.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.56 -36.31 44.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 50.0 110.408 -179.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.79 -53.81 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.434 0.635 . . . . 50.0 109.296 178.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.48 -19.93 65.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 178.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 2.3 pttt -61.41 -29.95 70.26 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.267 -0.895 . . . . 50.0 109.943 175.124 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 61.4 m-85 -80.24 -23.91 40.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.934 -0.479 . . . . 50.0 111.629 176.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.54 -31.91 70.39 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 171.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.07 -28.09 60.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.604 -0.685 . . . . 50.0 110.828 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -68.28 -27.96 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 50.0 110.325 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.44 -47.16 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 173.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HZ2' ' HB3' ' A' ' 39' ' ' LYS . 3.0 ttpm? -59.79 -45.0 93.67 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.697 -0.683 . . . . 50.0 110.811 -172.206 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -70.73 -26.95 63.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -97.24 -27.42 14.53 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.701 0.762 . . . . 25.0 111.921 -178.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.8 m -128.82 80.35 72.87 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 123.266 0.626 . . . . 50.0 110.779 -177.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.61 -17.22 33.88 Favored 'Trans proline' 0 C--N 1.343 0.258 0 CA-C-O 121.567 0.57 . . . . 50.0 111.984 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -12.31 60.01 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.906 -0.588 . . . . 50.0 112.242 176.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.18 -50.87 14.89 Favored Pre-proline 0 CA--C 1.542 0.653 0 O-C-N 121.081 -1.012 . . . . 50.0 112.511 -178.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.7 -20.6 40.04 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.449 -3.901 . . . . 50.0 112.96 175.008 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.59 -36.84 83.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.627 0.251 . . . . 50.0 110.79 176.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.8 -33.29 68.42 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 175.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.48 -10.34 1.03 Allowed Glycine 0 C--O 1.218 -0.848 0 N-CA-C 117.713 1.845 . . . . 50.0 117.713 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.0 m -99.51 137.13 38.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.208 0.504 . . . . 25.0 110.135 -174.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mm -106.29 113.2 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.62 1.2 . . . . 50.0 109.863 179.169 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.49 157.66 38.71 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.056 -1.461 . . . . 50.0 107.056 175.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.62 -32.05 56.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.289 -0.414 . . . . 50.0 111.056 -176.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -68.2 -30.11 69.12 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.565 -0.454 . . . . 50.0 111.427 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -82.93 -33.91 26.66 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 177.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -62.3 -27.28 68.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.021 -0.536 . . . . 50.0 111.413 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -54.54 -46.81 73.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.316 -0.253 . . . . 50.0 110.316 175.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -54.97 -31.93 61.16 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 113.022 0.749 . . . . 50.0 113.022 -177.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -70.67 -40.75 77.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.286 0.565 . . . . 50.0 109.974 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.38 61.19 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.202 -1.159 . . . . 50.0 110.202 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -62.36 -41.38 98.56 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -42.83 99.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.698 178.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -64.17 -38.55 91.46 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.794 -0.817 . . . . 50.0 108.794 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -67.41 -43.03 82.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.86 -0.155 . . . . 50.0 111.372 -177.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -59.9 -47.57 85.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.15 -37.89 84.56 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 50.0 111.063 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.92 -40.29 96.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.797 0.295 . . . . 50.0 111.797 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -34.74 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.631 -0.668 . . . . 50.0 110.287 -178.662 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 m -69.38 -43.25 73.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.507 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 8.84 6.66 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 117.9 2.555 . . . . 50.0 117.9 -170.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.22 174.55 49.88 Favored Glycine 0 C--O 1.246 0.849 0 N-CA-C 117.674 1.83 . . . . 50.0 117.674 173.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.79 -14.54 39.23 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.733 2.289 . . . . 50.0 114.77 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -74.45 -15.78 60.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.109 -0.369 . . . . 50.0 110.441 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -99.44 -44.0 6.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 178.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.94 130.86 24.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 105.769 -1.937 . . . . 50.0 105.769 174.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.24 153.43 24.46 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.832 -2.979 . . . . 50.0 111.729 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.88 -21.12 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.899 -0.501 . . . . 50.0 110.584 176.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.78 -19.35 61.37 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.626 -0.671 . . . . 25.0 111.34 177.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.79 85.05 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.97 -32.53 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.131 0.491 . . . . 50.0 110.736 177.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -68.29 -45.27 73.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.88 -43.81 97.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 50.0 109.796 175.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -58.09 -39.62 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.351 . . . . 50.0 111.239 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 50.0 111.633 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.68 -41.26 83.95 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 121.442 0.639 . . . . 50.0 110.272 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.25 -29.88 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 178.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.13 -47.04 86.73 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.946 -0.471 . . . . 50.0 110.079 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.95 -29.27 65.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.827 0.74 . . . . 50.0 110.314 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.11 -40.57 90.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.007 -0.277 . . . . 50.0 111.725 177.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.0 mt -78.32 -43.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.294 -0.563 . . . . 50.0 109.872 178.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.78 -31.64 70.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 50.0 111.483 -175.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -117.03 33.87 5.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.53 -0.305 . . . . 50.0 111.171 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -64.71 -22.87 67.08 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.247 0.546 . . . . 50.0 109.858 176.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.66 -35.86 77.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.557 0.947 . . . . 50.0 113.557 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.73 7.19 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.7 0.762 . . . . 50.0 109.527 -178.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -125.23 77.9 67.47 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.583 -0.735 . . . . 50.0 109.042 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.0 -16.95 54.42 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 117.26 -1.36 . . . . 50.0 112.682 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.53 -44.58 90.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.22 -0.659 . . . . 50.0 109.22 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.84 -25.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 120.596 -0.442 . . . . 50.0 111.845 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.04 -36.3 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.103 -0.373 . . . . 50.0 110.539 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.81 77.48 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.475 -0.765 . . . . 25.0 111.212 177.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -31.98 65.11 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.184 -0.323 . . . . 25.0 110.466 178.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.43 -51.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.821 -1.178 . . . . 50.0 107.821 178.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.17 92.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.286 0.565 . . . . 25.0 111.567 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.98 -41.29 97.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.039 -0.413 . . . . 50.0 110.806 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -61.9 -42.42 99.06 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.69 -50.35 68.48 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -77.23 -30.64 54.68 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -177.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.27 -38.31 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.885 -0.783 . . . . 50.0 108.885 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.2 -23.79 65.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.83 1.048 . . . . 50.0 113.83 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.157 0.503 . . . . 50.0 110.025 178.942 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.325 0 N-CA-C 112.12 -0.392 . . . . 50.0 112.12 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -56.69 -39.71 74.3 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 122.234 0.213 . . . . 50.0 110.443 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -85.79 -39.95 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.059 0.457 . . . . 50.0 111.692 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.72 -45.75 85.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.496 -0.32 . . . . 50.0 111.468 -176.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -57.4 -29.91 64.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.882 1.808 . . . . 50.0 115.882 172.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -87.69 -19.27 27.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.331 0.586 . . . . 50.0 110.493 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -82.8 84.8 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -178.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.84 -33.39 56.13 Favored 'General case' 0 C--O 1.208 -1.113 0 N-CA-C 114.373 1.249 . . . . 50.0 114.373 -173.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -62.76 -36.84 84.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.609 1.095 . . . . 50.0 112.361 176.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -70.99 -46.24 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 176.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.38 -39.34 60.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 CA-C-N 115.813 -0.631 . . . . 50.0 110.939 177.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -56.72 -44.79 81.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.452 0.701 . . . . 50.0 111.917 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -37.05 65.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.065 -1.087 . . . . 50.0 108.065 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.42 -23.52 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.414 0.524 . . . . 50.0 112.414 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -56.04 -39.23 71.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 175.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -76.84 -43.86 34.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.257 -0.428 . . . . 50.0 110.744 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.35 87.33 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.059 -1.089 . . . . 75.0 108.059 176.053 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -71.13 -40.8 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 -178.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -68.65 -25.52 64.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.398 0.544 . . . . 25.0 112.327 -177.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -73.09 -21.55 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.607 . . . . 50.0 109.422 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.99 11.29 85.53 Favored Glycine 0 N--CA 1.458 0.102 0 CA-C-N 116.369 -0.378 . . . . 50.0 114.041 174.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -96.88 118.22 42.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 -176.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -79.25 84.51 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.763 -0.653 . . . . 50.0 111.378 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.71 155.98 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.517 -0.92 . . . . 50.0 108.517 175.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -75.7 138.78 41.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 50.0 109.21 -178.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -49.88 71.34 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -178.724 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.74 75.36 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.19 0.519 . . . . 25.0 109.987 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -75.97 -33.88 59.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 -175.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -48.44 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.721 0.772 . . . . 50.0 109.016 176.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.97 -27.37 65.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.798 1.036 . . . . 50.0 113.798 175.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.07 -39.55 92.78 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.338 -0.545 . . . . 50.0 109.787 176.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.46 -23.75 53.86 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.809 -0.557 . . . . 50.0 111.579 178.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -64.6 -23.26 67.21 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 171.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.78 -35.2 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.775 -0.578 . . . . 50.0 111.085 176.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.65 -33.3 74.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 -178.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -39.3 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 121.63 -0.669 . . . . 50.0 109.338 176.661 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -38.99 92.73 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 178.514 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -64.22 -38.43 91.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.923 0.392 . . . . 50.0 111.758 -179.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -87.38 -29.0 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.382 0.611 . . . . 25.0 111.728 -176.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -123.5 80.9 53.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.35 -0.386 . . . . 50.0 111.236 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -70.6 -16.86 34.07 Favored 'Trans proline' 0 C--N 1.344 0.293 0 CA-C-O 121.601 0.584 . . . . 50.0 112.626 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -16.88 52.99 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.016 -0.538 . . . . 50.0 112.251 177.055 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.43 -50.08 15.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.663 . . . . 50.0 112.789 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.05 -20.22 38.48 Favored 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 113.034 -4.177 . . . . 50.0 112.677 176.315 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -31.8 73.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.569 0.348 . . . . 50.0 111.709 177.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.85 -21.73 60.89 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.295 -0.253 . . . . 50.0 110.658 178.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 24.68 53.93 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 113.996 0.359 . . . . 50.0 113.996 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -128.23 124.86 37.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.851 0.325 . . . . 25.0 110.236 -174.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.7 mm -110.44 112.01 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-O 123.064 1.412 . . . . 50.0 109.654 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -156.66 162.54 39.83 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 106.83 -1.544 . . . . 50.0 106.83 175.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.52 -29.15 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 116.554 -0.294 . . . . 50.0 110.45 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -65.01 -34.43 78.41 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.072 -0.393 . . . . 50.0 110.179 179.023 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -37.83 54.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 177.097 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.04 -25.7 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.48 0.548 . . . . 50.0 112.48 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -55.82 -47.02 77.93 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.424 -0.584 . . . . 50.0 109.424 176.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -54.21 -33.77 59.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.609 -0.723 . . . . 50.0 112.808 -178.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.13 -39.92 82.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 50.0 110.013 -176.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.1 -37.19 60.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.257 -1.137 . . . . 50.0 110.257 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.35 -42.23 98.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -45.11 92.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.377 -0.829 . . . . 50.0 112.021 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.38 -40.53 96.77 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.107 -0.637 . . . . 50.0 109.368 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -66.75 -43.84 83.04 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.734 -0.386 . . . . 50.0 111.187 -175.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -66.42 -43.18 86.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.861 0.838 . . . . 50.0 110.986 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.66 -36.57 84.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.596 -0.729 . . . . 50.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -68.59 -38.77 80.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.574 -0.284 . . . . 50.0 110.781 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.84 -36.12 83.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.088 0.471 . . . . 50.0 110.007 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -82.58 -41.88 18.98 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -175.452 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -115.14 0.14 13.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.4 1.63 . . . . 50.0 115.4 -172.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.41 -177.34 51.2 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 116.718 1.447 . . . . 50.0 116.718 174.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.4 -15.94 34.77 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.112 1.875 . . . . 50.0 114.452 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.81 -20.18 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.15 0.5 . . . . 50.0 110.49 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -105.71 -36.45 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.889 0.7 . . . . 50.0 112.889 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.46 130.82 23.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 105.791 -1.929 . . . . 50.0 105.791 173.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.83 153.38 22.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 114.831 -2.979 . . . . 50.0 112.1 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.35 -21.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.866 -0.521 . . . . 50.0 110.766 176.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -74.61 -17.68 60.67 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.725 -0.609 . . . . 25.0 111.207 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.8 -35.7 78.97 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.349 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.44 -33.14 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.173 0.511 . . . . 50.0 111.18 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.7 t -69.68 -44.69 69.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.504 -0.924 . . . . 50.0 108.504 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.67 -43.86 97.73 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.722 -0.672 . . . . 50.0 109.761 176.289 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.86 -37.43 73.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.852 0.358 . . . . 50.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -68.28 -34.84 76.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.316 -0.402 . . . . 50.0 111.411 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -62.56 -40.25 96.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.471 0.653 . . . . 50.0 110.435 178.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.06 -29.9 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.508 -0.745 . . . . 25.0 109.154 178.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -59.81 -45.74 91.42 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.494 -0.754 . . . . 50.0 109.839 178.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.11 -29.31 67.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.526 -0.734 . . . . 50.0 110.149 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.66 -45.62 74.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.106 0.41 . . . . 50.0 112.106 178.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.44 -35.9 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.995 -0.682 . . . . 50.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.87 -39.06 93.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 -178.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -110.87 38.77 2.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.482 0.919 . . . . 50.0 113.482 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -68.29 -17.66 64.33 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.799 -0.637 . . . . 50.0 109.442 171.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.0 -30.02 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 50.0 113.048 177.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.52 9.07 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.438 0.637 . . . . 50.0 110.667 -178.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.25 84.45 59.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.59 -0.892 . . . . 50.0 108.59 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.47 -18.74 54.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 117.585 -1.143 . . . . 50.0 113.968 -176.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -64.84 -54.56 29.13 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.873 -1.158 . . . . 50.0 107.873 176.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.85 -27.15 26.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 C-N-CA 118.973 -1.091 . . . . 50.0 110.597 -175.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -62.71 -36.66 83.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.755 -0.591 . . . . 50.0 109.854 176.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.19 70.45 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.688 -0.633 . . . . 25.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.36 43.46 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.19 -48.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.53 -1.285 . . . . 50.0 107.53 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.51 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.773 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.64 -37.04 84.79 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.43 0.529 . . . . 50.0 112.43 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -41.91 99.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -61.33 -42.79 99.25 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.321 -0.552 . . . . 50.0 111.741 175.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.81 -43.89 97.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.253 0.549 . . . . 50.0 110.42 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.65 -40.34 83.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.97 -0.559 . . . . 50.0 109.968 -178.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.05 -37.88 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.117 -0.364 . . . . 50.0 111.017 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.826 0.346 . . . . 50.0 111.033 179.313 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.313 0 N-CA-C 111.895 -0.482 . . . . 50.0 111.895 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.34 -42.37 99.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.524 -0.398 . . . . 50.0 111.324 179.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -30.03 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.905 -0.718 . . . . 50.0 110.393 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.84 -39.05 93.16 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.035 -0.415 . . . . 50.0 110.871 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -67.25 -15.54 63.76 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.954 1.094 . . . . 50.0 113.954 175.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.07 -13.94 15.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.235 0.541 . . . . 50.0 110.615 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -80.06 85.15 5.68 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.068 -1.456 . . . . 50.0 107.068 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.05 -31.28 29.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 116.06 1.874 . . . . 50.0 116.06 -169.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.235 -0.916 . . . . 50.0 113.294 176.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.53 -39.97 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.948 -1.501 . . . . 50.0 106.948 177.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.6 -36.81 43.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.861 -1.063 . . . . 50.0 109.597 174.279 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.94 -49.03 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 178.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -70.6 -39.6 73.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.813 0.816 . . . . 50.0 110.36 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -23.6 66.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.733 0.642 . . . . 50.0 112.733 -178.067 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -55.59 -38.07 68.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.51 -39.47 27.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.845 -0.616 . . . . 50.0 110.283 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.14 96.39 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.99 -40.44 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 177.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -73.6 -44.07 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 -176.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -65.52 -14.64 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.31 59.18 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.122 -0.361 . . . . 50.0 111.119 177.065 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.18 21.88 78.45 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.025 -0.607 . . . . 50.0 112.112 -177.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -119.34 139.07 47.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -176.478 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -76.92 84.86 3.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 50.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.77 147.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 175.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -104.7 165.09 11.3 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.801 -0.814 . . . . 50.0 108.801 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.33 -48.42 76.79 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.988 0.736 . . . . 50.0 112.988 178.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.82 66.37 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.04 -39.16 17.1 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.605 -0.27 . . . . 50.0 110.944 179.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -74.23 -50.61 18.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.462 0.542 . . . . 75.0 112.462 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.27 -19.98 65.97 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.298 -0.251 . . . . 50.0 111.361 -176.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -52.28 -41.44 62.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.168 0.509 . . . . 50.0 109.934 171.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -78.46 -23.94 46.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -70.59 -30.8 67.58 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.664 -1.235 . . . . 50.0 107.664 173.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 -29.27 45.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 121.141 0.496 . . . . 50.0 110.244 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.43 -35.07 78.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 50.0 111.316 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -26.65 39.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 C-N-CA 120.493 -0.483 . . . . 75.0 110.543 178.607 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -66.14 -35.62 80.97 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 -175.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.68 -53.22 9.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 50.0 111.483 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -28.55 63.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.575 0.702 . . . . 25.0 112.751 -176.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -127.71 78.3 75.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.877 -0.602 . . . . 50.0 109.656 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.97 -14.83 32.49 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.688 0.62 . . . . 50.0 112.162 -178.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -14.59 50.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.325 -0.852 . . . . 50.0 111.907 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.98 -50.13 82.25 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 121.473 -0.767 . . . . 50.0 112.482 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.52 -23.24 27.56 Favored 'Trans proline' 0 C--N 1.356 0.97 1 C-N-CA 112.611 -4.459 . . . . 50.0 113.77 177.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.25 -27.88 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.59 0.218 . . . . 50.0 111.59 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.77 -20.83 65.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.16 -0.311 . . . . 50.0 110.16 176.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.41 46.36 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 116.271 1.268 . . . . 50.0 116.271 173.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.517 ' HB ' HH11 ' A' ' 55' ' ' ARG . 39.8 m -137.45 139.39 40.59 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 -172.381 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.91 118.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.164 0.983 . . . . 50.0 109.418 177.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -154.85 162.87 40.96 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.894 -1.521 . . . . 50.0 106.894 176.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -68.84 -30.15 45.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 116.65 -0.25 . . . . 50.0 111.415 179.451 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.4 -28.78 66.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.269 -0.894 . . . . 50.0 109.312 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.517 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.9 ttm180 -78.33 -43.32 28.13 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 177.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -68.5 -34.17 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.702 1.001 . . . . 50.0 113.702 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -59.8 -42.78 94.19 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.998 -0.439 . . . . 50.0 110.662 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -57.19 -29.47 63.73 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 114.219 1.192 . . . . 50.0 114.219 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -39.74 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.539 0.685 . . . . 50.0 109.178 178.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.33 54.3 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.484 -0.865 . . . . 50.0 111.313 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.33 -38.98 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.279 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.63 -45.66 89.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -36.79 80.95 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 179.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.42 -40.01 81.37 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 120.813 -0.355 . . . . 50.0 111.056 -177.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -72.26 -36.68 69.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.733 0.778 . . . . 50.0 110.85 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.08 -37.57 87.91 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 175.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -68.86 -36.66 78.4 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.932 -0.577 . . . . 50.0 110.877 176.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.86 -34.08 77.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.622 -0.674 . . . . 50.0 109.777 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -71.24 -42.38 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.103 0.779 . . . . 25.0 113.103 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.31 0.26 6.36 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 117.14 2.274 . . . . 50.0 117.14 -172.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 -165.44 53.8 Favored Glycine 0 C--O 1.244 0.775 0 C-N-CA 120.806 -0.711 . . . . 50.0 113.35 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.76 -7.96 22.54 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.14 1.227 . . . . 50.0 114.397 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.91 -7.85 54.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.064 0.394 . . . . 50.0 112.064 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -118.99 -45.46 2.57 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.85 0.315 . . . . 50.0 111.85 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.75 130.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 175.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.04 154.02 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 114.969 -2.887 . . . . 50.0 111.477 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -21.24 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.854 -0.529 . . . . 50.0 110.883 177.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.21 -20.33 60.23 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.772 -0.58 . . . . 25.0 111.262 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.74 80.32 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.729 -0.607 . . . . 25.0 109.685 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.12 -30.92 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 50.0 111.549 178.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -73.46 -45.08 56.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.103 -0.703 . . . . 50.0 109.103 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.95 -40.26 97.15 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.897 -0.592 . . . . 50.0 109.785 176.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -64.01 -40.21 95.83 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.194 0.521 . . . . 50.0 110.984 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.31 -26.41 68.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.03 -49.6 75.37 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.57 -30.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.415 0.626 . . . . 25.0 109.854 -178.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.8 -50.47 66.06 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.068 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.15 -23.1 61.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.232 -0.587 . . . . 50.0 111.334 -177.163 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.06 -39.96 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.774 -0.37 . . . . 50.0 110.486 178.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.9 mt -77.37 -38.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 109.245 -0.65 . . . . 50.0 109.245 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.78 -26.08 67.0 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.872 0.367 . . . . 50.0 110.584 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -122.54 31.78 5.99 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.605 0.594 . . . . 50.0 112.605 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -56.83 -30.54 63.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.086 0.772 . . . . 50.0 113.086 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.4 pm0 -68.09 -24.31 65.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -173.794 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.62 10.95 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.16 78.21 75.74 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 121.45 0.643 . . . . 50.0 110.545 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.51 -21.16 40.5 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.413 1.274 . . . . 50.0 115.413 -173.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -65.14 -37.84 88.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.93 -27.53 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 120.346 -0.542 . . . . 50.0 112.009 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.198 0.523 . . . . 50.0 111.437 -175.508 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -26.28 66.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.881 -0.512 . . . . 25.0 110.41 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.32 -30.11 38.14 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 110.094 -0.335 . . . . 25.0 110.094 178.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.51 -48.86 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 107.394 -1.336 . . . . 50.0 107.394 176.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.59 86.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.324 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.65 -36.85 84.15 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.394 -0.522 . . . . 50.0 111.907 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.1 m -63.52 -43.27 97.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -60.75 -38.75 86.25 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.44 -0.504 . . . . 50.0 112.315 175.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -63.17 -48.27 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.699 0.761 . . . . 50.0 110.2 177.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.8 -36.98 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.237 -0.892 . . . . 50.0 110.546 -176.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.99 -25.46 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 -178.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 50.0 111.218 176.3 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.46 0 N-CA-C 110.309 -1.117 . . . . 50.0 110.309 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.13 -35.4 80.63 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.935 -0.306 . . . . 50.0 110.553 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.91 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.117 0.485 . . . . 50.0 110.964 -179.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.99 -37.51 87.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.779 -0.576 . . . . 50.0 111.669 178.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.01 -15.66 62.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 173.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -94.66 -21.73 18.6 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.551 0.691 . . . . 50.0 110.37 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -84.26 88.73 7.25 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -50.16 -35.75 27.44 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 114.761 1.393 . . . . 50.0 114.761 -176.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -61.2 -38.82 87.92 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.574 -0.703 . . . . 50.0 111.37 177.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -70.42 -40.74 73.67 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 174.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.76 -39.38 79.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -57.37 -45.7 84.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.748 0.704 . . . . 50.0 111.023 178.242 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -68.18 -44.9 74.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.847 0.832 . . . . 50.0 111.13 177.091 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.75 -26.07 64.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.148 0.795 . . . . 50.0 113.148 -174.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -55.29 -45.21 76.21 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.234 -1.024 . . . . 50.0 108.234 175.119 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -76.57 -38.72 54.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.825 -0.625 . . . . 50.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.33 93.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -178.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -41.58 97.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 176.039 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -72.01 -38.67 69.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.459 0.911 . . . . 50.0 113.459 -175.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 t -70.77 -13.82 62.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.107 0.48 . . . . 25.0 111.645 -176.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -13.53 61.96 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.856 -0.528 . . . . 50.0 110.66 174.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.32 79.54 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 111.333 -0.707 . . . . 50.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.13 156.37 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 -175.156 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -115.9 84.39 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.4 -0.593 . . . . 50.0 109.4 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.47 136.8 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.279 -1.378 . . . . 50.0 107.279 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.88 133.95 48.96 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 107.353 -1.351 . . . . 50.0 107.353 178.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -48.69 38.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.275 0.843 . . . . 50.0 113.275 -178.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.05 80.66 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.85 -34.68 66.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.898 -0.408 . . . . 50.0 109.898 -178.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.35 -54.25 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.185 0.517 . . . . 75.0 110.303 178.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.01 -23.02 66.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.574 0.583 . . . . 50.0 112.574 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -62.07 -38.06 87.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.443 -0.577 . . . . 50.0 109.443 174.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -77.82 -23.8 48.93 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.683 -0.636 . . . . 50.0 112.145 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.34 -33.16 75.31 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 171.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -25.38 53.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.969 -0.457 . . . . 50.0 111.529 178.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -66.57 -42.16 87.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.555 -0.293 . . . . 50.0 110.405 176.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.55 -34.72 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 177.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -41.75 96.55 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 111.357 0.132 . . . . 50.0 111.357 178.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -33.93 38.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.903 -0.719 . . . . 50.0 112.298 -177.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -74.09 -34.29 63.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.58 0.705 . . . . 25.0 110.017 179.098 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.87 80.51 49.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 50.0 110.079 178.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -70.26 -17.08 35.55 Favored 'Trans proline' 0 C--N 1.345 0.345 0 CA-C-O 121.606 0.586 . . . . 50.0 112.632 -178.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -14.57 58.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.573 -0.739 . . . . 50.0 111.857 176.315 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -68.71 -51.52 20.96 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 121.446 -0.784 . . . . 50.0 111.804 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -69.61 -22.83 32.19 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 113.764 -3.691 . . . . 50.0 113.703 175.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -63.74 -36.2 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.652 0.381 . . . . 50.0 111.443 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.54 -18.52 61.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.739 0.304 . . . . 50.0 111.277 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.16 58.29 Favored Glycine 0 C--O 1.218 -0.904 0 N-CA-C 114.678 0.631 . . . . 50.0 114.678 176.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -135.98 133.91 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.096 0.948 . . . . 25.0 110.321 -176.059 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 mm -115.09 114.59 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.579 1.18 . . . . 50.0 109.658 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -154.37 160.37 41.65 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.42 -1.263 . . . . 50.0 109.243 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.15 -31.68 54.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.148 0.425 . . . . 50.0 112.148 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -67.32 -33.36 75.11 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -79.94 -36.97 35.48 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.636 -0.711 . . . . 50.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -63.73 -32.82 74.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 50.0 111.416 178.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -60.33 -43.14 96.69 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 119.449 -0.31 . . . . 50.0 111.391 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.16 -32.08 63.98 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.921 0.711 . . . . 50.0 112.921 175.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.21 -40.15 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.357 0.599 . . . . 50.0 109.884 -178.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.62 55.75 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.848 -0.901 . . . . 50.0 110.848 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.03 -40.73 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -44.88 95.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 50.0 111.975 178.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.31 -38.2 82.93 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.601 -0.44 . . . . 50.0 109.998 177.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.78 -43.77 71.49 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.1 -0.24 . . . . 50.0 111.071 -177.01 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -62.32 -42.33 99.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.275 0.559 . . . . 50.0 109.941 178.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -39.62 91.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.038 0.446 . . . . 50.0 110.03 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -64.21 -38.95 92.87 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.563 -0.289 . . . . 50.0 110.385 177.347 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.26 -29.79 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.915 -0.49 . . . . 50.0 111.226 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -70.05 -42.28 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -177.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.33 -3.94 6.15 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 116.345 1.98 . . . . 50.0 116.345 -174.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.23 -170.9 45.49 Favored Glycine 0 C--O 1.243 0.658 0 C-N-CA 120.553 -0.832 . . . . 50.0 113.159 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.14 -7.75 22.05 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.744 1.629 . . . . 50.0 115.663 -175.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.08 -22.8 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.05 -0.406 . . . . 50.0 110.485 177.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.8 -38.11 9.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -178.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -127.16 130.98 23.65 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 107.284 -1.376 . . . . 50.0 107.284 177.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.95 152.73 24.96 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 115.759 -2.361 . . . . 50.0 111.654 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.68 -22.75 31.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 O-C-N 121.763 -0.586 . . . . 50.0 110.849 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -69.68 -19.49 63.59 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.871 -0.518 . . . . 25.0 111.204 177.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.72 69.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.941 178.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -81.58 -31.12 32.72 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.544 -1.28 . . . . 50.0 107.544 -177.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.317 -1.31 . . . . 50.0 109.799 178.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.7 -43.95 91.84 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.822 -0.626 . . . . 50.0 109.494 176.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -55.49 -42.01 73.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 50.0 111.068 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -66.58 -28.0 68.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.821 0.675 . . . . 50.0 112.821 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.02 -41.25 82.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.485 0.659 . . . . 50.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.08 -30.95 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 178.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -56.59 -51.63 67.91 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 109.464 -0.569 . . . . 50.0 109.464 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -66.9 -26.96 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.644 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.31 -43.37 81.83 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.215 -0.303 . . . . 50.0 111.151 177.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.52 -39.1 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.103 -0.703 . . . . 50.0 109.103 178.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.89 -30.83 68.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.267 0.627 . . . . 50.0 110.832 -178.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.9 33.79 5.47 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.42 0.526 . . . . 50.0 112.42 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -62.98 -20.48 65.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.959 0.409 . . . . 50.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.02 -40.48 95.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.496 0.718 . . . . 50.0 112.411 -179.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.93 8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.424 0.631 . . . . 50.0 110.446 -177.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -129.02 80.43 72.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.169 179.424 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.2 -18.33 39.7 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.581 -1.146 . . . . 50.0 113.957 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.69 -42.28 95.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -84.74 -26.2 6.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 C-N-CA 119.264 -0.974 . . . . 50.0 109.899 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttp -63.44 -36.2 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.81 0.67 . . . . 50.0 112.81 -177.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.7 69.31 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.655 176.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -27.21 60.62 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.6 -47.84 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.03 -1.1 . . . . 50.0 108.03 175.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.64 79.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.45 -36.42 82.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.099 -0.24 . . . . 50.0 111.509 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -57.7 -44.2 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.013 0.375 . . . . 50.0 112.013 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -62.07 -45.0 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.305 0.574 . . . . 50.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.14 -38.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.228 -0.442 . . . . 50.0 110.036 -177.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.264 -0.272 . . . . 50.0 110.381 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mttm . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.858 0.361 . . . . 50.0 110.927 178.158 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.177 0 N-CA-C 112.212 -0.355 . . . . 50.0 112.212 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.11 -33.57 74.7 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 120.599 0.238 . . . . 50.0 111.529 178.045 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.62 -38.12 73.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.33 0.586 . . . . 50.0 110.473 178.317 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.49 -34.5 76.02 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.652 -0.655 . . . . 50.0 111.039 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -78.82 -15.13 58.77 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.116 -0.365 . . . . 50.0 111.906 174.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -85.93 -30.26 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 177.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -76.28 92.42 3.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.333 -0.849 . . . . 50.0 110.795 179.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -48.28 -36.7 14.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.76 1.393 . . . . 50.0 114.76 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.42 -35.0 73.18 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.673 0.749 . . . . 50.0 111.836 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.7 -36.26 23.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.357 -0.838 . . . . 50.0 109.781 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.37 -36.64 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.059 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -53.87 -45.2 70.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.372 0.606 . . . . 50.0 111.004 175.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 101' ' ' ALA . 3.3 mt-30 -75.63 -40.12 56.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.757 179.068 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.03 -24.97 66.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.96 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 176.058 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.76 -41.69 18.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.911 -0.403 . . . . 50.0 109.911 176.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.33 75.97 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.214 1.19 . . . . 25.0 114.214 -177.144 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.45 -40.99 96.52 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.735 -1.209 . . . . 50.0 107.735 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.72 -40.6 79.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.312 0.856 . . . . 50.0 113.312 -178.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -71.81 -18.87 62.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.486 0.585 . . . . 25.0 111.56 -175.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -73.54 -23.88 60.05 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 121.038 -0.265 . . . . 50.0 110.575 173.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.99 5.0 74.11 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 111.796 -0.522 . . . . 50.0 111.796 -176.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -84.84 124.87 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.74 -1.208 . . . . 50.0 107.74 -176.487 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -80.9 84.35 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 50.0 110.531 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.76 148.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 50.0 109.854 176.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -79.5 156.06 27.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.219 -2.141 . . . . 50.0 105.219 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -44.45 90.46 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.652 -0.419 . . . . 50.0 110.467 175.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -39.03 80.68 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.745 0.307 . . . . 25.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -68.79 -38.94 80.32 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 -176.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.08 -54.13 10.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.479 . . . . 75.0 110.842 -178.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.05 -20.03 66.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 -179.016 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.69 -40.62 69.32 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.484 0.659 . . . . 50.0 109.975 173.293 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -74.64 -23.79 58.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.11 -0.369 . . . . 50.0 111.814 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.72 -31.17 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 173.547 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.14 -22.72 52.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.635 -0.665 . . . . 50.0 111.062 175.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -68.24 -33.8 75.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 174.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.36 -45.34 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 172.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -61.28 -36.64 80.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.566 -0.743 . . . . 50.0 110.351 -172.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -53.44 10.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.845 0.683 . . . . 50.0 112.845 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -73.09 -26.38 61.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.559 0.695 . . . . 25.0 111.762 -177.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 59' ' ' VAL . 67.4 m -128.38 74.93 79.63 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.853 0.686 . . . . 50.0 112.853 -178.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.79 -16.83 37.61 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.192 -0.738 . . . . 50.0 111.74 177.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -9.43 59.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 50.0 112.678 176.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -73.18 -53.27 4.94 Favored Pre-proline 0 CA--C 1.543 0.701 0 O-C-N 121.3 -0.875 . . . . 50.0 111.032 177.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -69.51 -15.76 38.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 113.872 -3.619 . . . . 50.0 113.284 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -64.75 -38.67 91.78 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.457 0.17 . . . . 50.0 110.801 175.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.3 -34.95 73.36 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.562 -0.903 . . . . 50.0 108.562 175.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.53 31.1 62.87 Favored Glycine 0 C--O 1.23 -0.144 0 CA-C-N 115.302 -0.863 . . . . 50.0 113.093 178.176 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.8 m -128.26 130.22 47.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 -177.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -105.72 107.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 123.134 1.445 . . . . 50.0 109.702 -176.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -145.82 159.37 43.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.524 -2.028 . . . . 50.0 105.524 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.95 -28.43 41.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.521 -0.918 . . . . 50.0 108.521 178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -67.47 -37.14 82.46 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.284 178.547 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -72.84 -37.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 176.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -64.48 -27.59 69.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -55.23 -51.51 66.35 Favored 'General case' 0 CA--C 1.483 -1.627 0 CA-C-O 121.245 0.545 . . . . 50.0 110.088 175.692 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -52.72 -30.4 32.17 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.427 -1.715 . . . . 50.0 112.391 -175.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' HA ' ' SG ' ' A' ' 42' ' ' CYS . 44.8 t -71.71 -44.26 69.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.28 0.562 . . . . 50.0 111.772 178.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.38 56.11 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 110.213 -1.155 . . . . 50.0 110.213 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.05 -37.65 88.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 178.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.25 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 50.0 111.336 176.155 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -64.16 -37.34 87.13 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -63.65 -46.52 85.23 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.071 0.232 . . . . 50.0 110.411 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.1 -35.36 71.79 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.513 -0.475 . . . . 50.0 111.1 -176.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.98 -37.9 85.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 176.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -65.42 -42.45 92.47 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 176.088 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -63.11 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.37 0.668 . . . . 50.0 111.54 -178.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 m -68.21 -40.81 82.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 25.0 112.003 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -126.98 -47.94 1.49 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 117.968 2.581 . . . . 50.0 117.968 -176.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.22 -174.16 22.63 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 121.37 -0.443 . . . . 50.0 113.738 -175.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.03 -12.24 30.2 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.312 2.674 . . . . 50.0 115.118 -177.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -81.75 -10.97 59.21 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.124 -0.36 . . . . 50.0 110.625 177.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -99.52 -43.68 6.43 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.397 -0.365 . . . . 50.0 111.649 175.676 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.45 131.03 24.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 106.628 -1.619 . . . . 50.0 106.628 173.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.24 152.6 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 115.375 -2.616 . . . . 50.0 113.089 -179.42 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -22.38 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 122.001 -0.437 . . . . 50.0 111.418 177.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -69.88 -24.17 63.36 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.575 -0.703 . . . . 25.0 111.293 177.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.38 85.73 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.948 -0.701 . . . . 25.0 110.296 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -72.36 -33.38 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 50.0 110.025 177.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.1 t -66.92 -45.09 78.98 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.787 -0.449 . . . . 50.0 109.787 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.8 -40.7 92.15 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 176.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.26 -38.33 71.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.128 -0.323 . . . . 50.0 110.128 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -67.16 -35.21 79.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 50.0 112.086 -178.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.49 -43.62 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.929 0.395 . . . . 50.0 110.045 179.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.99 -30.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.88 -51.13 70.29 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.759 -0.46 . . . . 50.0 109.759 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.1 -29.71 69.54 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.408 -0.517 . . . . 50.0 111.003 -179.198 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.5 -39.26 88.6 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 112.054 0.39 . . . . 50.0 112.054 178.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.66 -41.08 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 177.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.25 -38.81 77.63 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.281 0.562 . . . . 50.0 110.369 -177.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -115.14 35.14 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.079 -0.509 . . . . 50.0 111.254 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.17 -21.64 66.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.54 0.686 . . . . 50.0 109.663 176.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.45 -29.12 69.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.827 1.047 . . . . 50.0 113.827 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.97 8.62 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 121.5 0.666 . . . . 50.0 110.076 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -123.21 77.87 52.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 108.116 -1.068 . . . . 50.0 108.116 176.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.1 -18.15 45.66 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 117.941 -0.906 . . . . 50.0 114.414 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -63.88 -50.81 67.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 177.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.49 -25.18 14.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 115.874 -0.603 . . . . 50.0 111.166 -176.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.21 -36.79 73.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.263 0.483 . . . . 50.0 110.299 176.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB3' HE22 ' A' ' 14' ' ' GLN . . . -66.51 -31.95 72.99 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.142 -0.974 . . . . 25.0 110.416 175.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.5 60.53 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.64 -48.2 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.465 -1.309 . . . . 50.0 107.465 174.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.62 82.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.447 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -65.7 -34.35 77.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.5 m -64.73 -40.54 95.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.25 -42.86 99.35 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.401 -0.519 . . . . 50.0 110.802 175.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -58.59 -45.92 88.05 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.008 -0.432 . . . . 50.0 110.899 178.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.25 -38.86 78.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.481 -0.327 . . . . 50.0 110.684 -175.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.69 -40.57 79.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.425 -0.213 . . . . 50.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.459 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.1 mmtp . . . . . 0 C--O 1.215 -0.75 0 N-CA-C 112.467 0.543 . . . . 50.0 112.467 174.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.321 0 N-CA-C 114.904 0.722 . . . . 50.0 114.904 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -62.66 -37.16 85.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 178.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.83 -39.57 63.95 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.271 0.557 . . . . 50.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.64 -41.78 95.6 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.651 -0.656 . . . . 50.0 110.969 176.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -69.74 -11.36 60.8 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 174.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -94.9 -20.5 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.609 0.719 . . . . 50.0 109.53 178.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -80.86 84.21 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.06 -31.23 40.5 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.787 1.773 . . . . 50.0 115.787 -172.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.83 -36.33 83.19 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.447 -0.783 . . . . 50.0 111.535 177.426 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -75.17 -43.39 52.58 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.414 -0.958 . . . . 50.0 108.414 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.81 -40.59 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.637 -0.71 . . . . 50.0 110.955 176.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -46.12 80.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.653 0.381 . . . . 50.0 111.858 -179.641 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -37.97 70.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.042 . . . . 50.0 108.188 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.73 -23.46 67.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.427 0.899 . . . . 50.0 113.427 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -50.87 -35.62 33.66 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 174.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -82.19 -46.85 13.21 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 116.714 -0.221 . . . . 50.0 111.023 176.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.97 90.94 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.399 1.259 . . . . 25.0 114.399 -175.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -37.55 87.9 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.66 -39.98 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 p -68.15 -16.26 63.92 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -16.58 62.05 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.047 -0.408 . . . . 50.0 110.207 175.152 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.08 23.72 77.56 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.929 -0.653 . . . . 50.0 113.799 175.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -126.68 147.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 50.0 111.958 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.03 84.86 6.39 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.077 -0.51 . . . . 50.0 109.86 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.32 134.22 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.108 -1.812 . . . . 50.0 106.108 178.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -87.39 163.27 16.86 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.188 -1.041 . . . . 50.0 108.188 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.35 -42.72 87.54 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.997 -0.439 . . . . 50.0 110.953 174.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.93 84.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.2 0.524 . . . . 25.0 109.987 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.67 -46.54 63.03 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.22 -1.03 . . . . 50.0 108.22 -175.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.6 tp -67.75 -54.03 22.52 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.391 0.615 . . . . 50.0 112.318 -175.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.69 -19.97 65.87 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -59.01 -41.6 88.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 119.639 -0.824 . . . . 50.0 108.968 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -74.71 -25.71 59.32 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 120.383 -0.527 . . . . 50.0 112.204 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.64 -38.27 90.44 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.088 -1.079 . . . . 50.0 108.088 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.43 -34.36 75.85 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.96 0.41 . . . . 50.0 111.216 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.28 -37.11 86.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 50.0 112.339 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -28.53 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.922 -0.711 . . . . 50.0 111.2 -178.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -64.44 -41.41 96.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.814 -0.754 . . . . 50.0 109.387 -175.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.38 -43.86 89.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.013 -0.994 . . . . 50.0 110.538 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -29.74 50.15 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.074 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 87.4 m -128.0 77.43 76.59 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.363 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.31 -18.81 29.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 CA-C-O 121.45 0.521 . . . . 50.0 112.405 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.81 -17.13 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.881 -0.6 . . . . 50.0 112.352 177.043 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.8 -53.14 15.99 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.371 -0.831 . . . . 50.0 111.338 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.18 -19.42 29.6 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.894 -3.604 . . . . 50.0 113.83 176.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.27 -40.2 93.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 50.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.86 -28.0 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.427 0.632 . . . . 50.0 109.783 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.67 0.39 8.4 Favored Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.018 1.167 . . . . 50.0 116.018 176.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 m -102.69 134.23 46.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -175.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.36 84.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 123.74 1.733 . . . . 50.0 109.476 -174.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.12 153.82 19.25 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 104.78 -2.304 . . . . 75.0 104.78 175.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' HE ' ' A' ' 57' ' ' ARG . 10.4 tp -67.38 -28.14 41.21 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 N-CA-C 107.267 -1.383 . . . . 50.0 107.267 171.029 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.99 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.218 0.533 . . . . 50.0 110.368 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -77.94 -34.89 50.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.924 -0.769 . . . . 50.0 108.924 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -62.23 -28.84 69.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.98 -0.554 . . . . 50.0 111.258 176.258 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HE ' HG13 ' A' ' 53' ' ' ILE . 18.8 mmt85 -56.12 -47.24 78.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 175.73 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -67.35 -21.43 65.63 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 114.359 1.244 . . . . 50.0 114.359 -177.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.02 -39.2 79.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.818 -1.178 . . . . 50.0 107.818 175.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.37 60.61 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.004 -0.838 . . . . 50.0 111.004 178.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.8 -36.79 82.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -43.74 90.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.142 179.295 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.87 -37.85 89.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 178.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -63.08 -45.32 92.68 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 110.021 -0.363 . . . . 50.0 110.021 -179.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -70.99 -39.06 72.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.394 0.616 . . . . 50.0 111.821 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.18 -37.19 86.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 177.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.36 -38.93 78.33 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 121.222 0.534 . . . . 50.0 110.436 175.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.09 -35.7 80.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.212 0.53 . . . . 50.0 111.066 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -79.73 -41.28 27.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -177.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.49 2.52 10.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.062 1.875 . . . . 50.0 116.062 -173.173 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 -174.57 54.95 Favored Glycine 0 C--O 1.242 0.645 0 N-CA-C 115.344 0.898 . . . . 50.0 115.344 178.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.64 -5.4 17.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.25 1.966 . . . . 50.0 115.114 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.73 -8.74 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.264 0.554 . . . . 50.0 111.889 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -115.78 -34.6 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.553 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.39 131.01 24.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.177 -1.046 . . . . 50.0 108.177 173.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -84.75 157.51 11.98 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 117.198 -1.401 . . . . 50.0 112.592 175.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.33 -23.04 32.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 121.684 -0.635 . . . . 50.0 111.468 176.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -71.38 -20.84 62.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.456 -0.777 . . . . 25.0 111.736 177.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -37.72 84.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.745 -0.782 . . . . 25.0 109.892 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.79 -32.24 69.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.527 0.679 . . . . 50.0 110.112 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.8 t -69.77 -43.87 71.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.861 -0.608 . . . . 50.0 109.537 -178.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.76 -38.44 83.45 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.313 -0.403 . . . . 50.0 110.089 176.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -59.21 -36.43 75.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.028 0.442 . . . . 50.0 110.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -35.31 80.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.871 -0.604 . . . . 50.0 110.866 179.472 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.91 -40.52 95.21 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.343 -0.389 . . . . 50.0 111.155 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.24 -30.35 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 121.283 -0.886 . . . . 25.0 109.019 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.29 -49.5 76.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.909 -0.494 . . . . 50.0 110.416 178.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.6 -31.59 72.71 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.87 -0.732 . . . . 50.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.63 -42.54 77.89 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 -178.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.79 -40.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.754 -0.778 . . . . 50.0 109.392 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.39 -34.44 76.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.835 0.35 . . . . 50.0 110.546 -175.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -112.64 32.83 5.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.912 0.387 . . . . 50.0 111.561 178.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.8 -18.14 65.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.513 0.673 . . . . 50.0 109.499 176.13 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.37 -26.54 68.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.149 -0.932 . . . . 50.0 113.48 178.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.15 8.61 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.476 0.655 . . . . 50.0 110.059 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -126.12 83.76 62.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.394 -0.965 . . . . 50.0 108.394 179.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.26 -19.28 38.73 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 117.808 -0.995 . . . . 50.0 114.161 -175.097 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -64.86 -54.35 32.33 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 177.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.3 p -72.83 -28.07 26.37 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.881 -1.127 . . . . 50.0 110.697 -176.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -40.53 92.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.275 -0.89 . . . . 50.0 110.743 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.06 68.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.939 0.4 . . . . 25.0 110.517 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.98 49.38 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.32 -48.64 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.67 96.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.245 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -63.36 -37.4 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.104 0.409 . . . . 50.0 112.104 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -68.01 -37.69 81.74 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 -178.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.03 -45.3 91.06 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.568 0.622 . . . . 50.0 111.265 176.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.15 -40.3 95.5 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.558 0.694 . . . . 50.0 110.476 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.15 -41.5 87.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 50.0 110.04 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.73 -38.08 79.92 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.926 -0.484 . . . . 50.0 111.987 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.793 0.33 . . . . 50.0 111.292 179.626 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.337 0 N-CA-C 113.056 -0.018 . . . . 50.0 113.056 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -64.64 -44.5 90.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.419 -0.512 . . . . 50.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.15 -36.21 79.29 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 120.841 0.353 . . . . 50.0 110.193 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.66 -36.07 75.7 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.775 -0.578 . . . . 50.0 110.688 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -66.57 -26.57 67.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.117 1.525 . . . . 50.0 115.117 170.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -85.69 -23.76 27.28 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.437 0.637 . . . . 50.0 110.551 179.585 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -80.87 82.01 6.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 -174.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.08 -33.99 20.29 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 115.503 1.668 . . . . 50.0 115.503 -171.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.38 67.19 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.17 -0.956 . . . . 50.0 112.025 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -83.02 -37.43 23.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 176.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.31 -38.9 57.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 173.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -62.36 -39.35 92.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.611 0.967 . . . . 50.0 113.611 178.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -64.53 -40.25 95.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.817 -0.809 . . . . 50.0 108.817 173.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -70.1 -23.49 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.24 0.829 . . . . 50.0 113.24 178.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.588 -1.634 . . . . 50.0 106.588 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -80.14 -47.27 15.01 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.142 -0.481 . . . . 50.0 110.674 175.221 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.8 98.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -174.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.45 -39.95 95.85 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.142 -1.059 . . . . 50.0 108.142 178.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -67.88 -40.49 83.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 50.0 112.66 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 p -69.81 -25.84 63.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -14.14 59.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 119.623 -0.831 . . . . 50.0 109.968 175.232 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 16.99 77.14 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 121.393 -0.432 . . . . 50.0 113.422 176.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.62 123.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.124 0.964 . . . . 50.0 109.63 -176.199 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -83.0 84.49 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.648 -0.705 . . . . 50.0 112.01 -176.578 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.6 m -122.11 156.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.061 -1.088 . . . . 50.0 108.061 175.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -79.07 147.51 32.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.647 -1.612 . . . . 50.0 106.647 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -47.84 79.94 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 122.411 -0.181 . . . . 50.0 111.424 177.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.03 74.03 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.397 -0.365 . . . . 25.0 110.778 179.433 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -71.39 -32.81 68.87 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.969 -0.382 . . . . 50.0 109.969 -178.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -54.03 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.061 -0.655 . . . . 50.0 110.874 178.838 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.17 -20.33 62.6 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 178.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -54.09 -38.56 65.49 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.999 -0.438 . . . . 50.0 110.079 171.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -79.59 -23.87 42.42 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.088 -0.382 . . . . 50.0 111.862 -179.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.1 -26.95 63.26 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.607 -1.257 . . . . 50.0 107.607 173.063 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.6 -31.22 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.592 0.71 . . . . 50.0 109.608 176.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.23 -28.15 66.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 50.0 112.522 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -64.79 -33.19 61.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 C-N-CA 119.4 -0.92 . . . . 50.0 108.835 176.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -67.78 -36.45 80.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.668 -0.493 . . . . 50.0 109.668 -178.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.26 -32.55 72.36 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.828 -0.624 . . . . 50.0 111.638 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 m -97.23 -33.89 11.3 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.405 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -124.44 82.48 58.42 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -173.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.46 -12.78 29.88 Favored 'Trans proline' 0 C--N 1.344 0.31 0 CA-C-O 121.541 0.559 . . . . 50.0 111.609 177.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -9.85 53.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 50.0 112.725 177.793 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.39 -49.73 82.44 Favored Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 121.427 -0.795 . . . . 50.0 111.523 176.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -69.12 -19.73 38.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 114.076 -3.483 . . . . 50.0 114.309 176.338 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.85 -35.3 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.709 0.231 . . . . 50.0 110.934 178.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.53 -31.39 70.59 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.312 -0.996 . . . . 50.0 108.312 175.165 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.76 33.56 Favored Glycine 0 C--O 1.229 -0.188 0 N-CA-C 115.442 0.937 . . . . 50.0 115.442 174.642 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.8 m -127.63 127.39 43.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.49 98.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 123.145 1.45 . . . . 50.0 108.882 -174.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -138.95 164.44 29.7 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.987 -2.227 . . . . 50.0 104.987 179.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.09 -28.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 111.388 0.144 . . . . 50.0 111.388 -179.044 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -66.42 -35.61 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.699 -0.625 . . . . 50.0 110.33 177.119 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -78.27 -40.46 36.97 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 110.049 -0.352 . . . . 50.0 110.049 177.067 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -64.28 -31.87 73.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.692 0.282 . . . . 50.0 111.189 -179.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -61.2 -43.56 98.69 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 119.311 -0.376 . . . . 50.0 110.967 175.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -57.41 -33.36 67.79 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 111.664 0.246 . . . . 50.0 111.664 177.196 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.26 -41.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 50.0 110.263 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -36.8 61.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.568 -0.825 . . . . 50.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.74 -40.95 98.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -44.87 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.428 -0.805 . . . . 50.0 111.744 177.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -61.0 -34.01 74.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.689 -0.405 . . . . 50.0 110.386 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.51 -43.44 97.17 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.604 -0.438 . . . . 50.0 110.408 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.29 -36.13 66.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.607 0.718 . . . . 50.0 111.264 179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -35.95 78.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 176.874 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.02 -40.13 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 50.0 110.544 177.174 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.6 -39.36 93.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.08 -0.387 . . . . 50.0 111.713 -178.259 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 t -85.88 -20.09 29.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -172.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -119.16 -11.55 9.59 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.334 1.605 . . . . 50.0 115.334 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.92 178.85 52.69 Favored Glycine 0 C--O 1.244 0.734 0 C-N-CA 120.884 -0.674 . . . . 50.0 114.014 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.5 -12.28 29.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.255 1.97 . . . . 50.0 115.407 -176.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -74.53 -30.51 61.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.221 0.534 . . . . 50.0 110.968 -178.68 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.04 -40.08 10.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.602 -178.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.09 130.8 24.5 Favored Pre-proline 0 C--O 1.22 -0.489 0 N-CA-C 106.651 -1.611 . . . . 50.0 106.651 175.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.12 154.5 11.07 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 115.508 -2.528 . . . . 50.0 112.43 178.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.27 -20.49 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.688 -0.632 . . . . 50.0 110.519 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -73.6 -17.2 61.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.673 -0.642 . . . . 25.0 111.1 177.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.23 82.62 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.238 -0.585 . . . . 25.0 109.444 178.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.3 -31.2 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.207 0.527 . . . . 50.0 111.185 178.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -71.75 -43.82 65.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.983 -0.747 . . . . 50.0 108.983 178.422 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.23 -41.74 96.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.607 . . . . 50.0 110.039 176.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.03 -39.52 82.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.779 0.323 . . . . 50.0 110.503 178.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.51 -28.29 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.986 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.7 -40.8 84.3 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-O 120.976 0.417 . . . . 50.0 110.023 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.18 -31.03 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.181 -0.949 . . . . 25.0 109.402 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -56.09 -48.68 75.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.774 179.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.25 -30.86 70.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.776 -0.37 . . . . 50.0 110.423 -179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.58 -36.01 73.35 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 112.041 0.386 . . . . 50.0 112.041 -179.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.62 -42.93 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.542 -0.54 . . . . 50.0 109.542 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.34 -33.27 69.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.11 0.481 . . . . 50.0 110.998 -177.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 35.99 4.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 50.0 110.887 178.298 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -64.78 -20.12 66.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.413 0.625 . . . . 50.0 110.811 178.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.19 -30.28 69.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 50.0 113.304 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.4 10.33 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.561 0.696 . . . . 50.0 110.275 -179.275 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.36 78.09 61.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.781 -0.822 . . . . 50.0 108.781 178.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.62 -23.93 36.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 N-CA-C 115.527 1.318 . . . . 50.0 115.527 -173.582 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -67.22 -35.78 80.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 m -84.91 -29.81 6.72 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 C-N-CA 120.118 -0.633 . . . . 50.0 110.943 177.168 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -61.21 -41.52 96.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.618 0.644 . . . . 50.0 110.179 -179.458 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.072 0.463 . . . . 25.0 110.434 176.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 -31.01 42.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.53 -49.64 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 176.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.9 96.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.42 -37.84 87.38 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 120.491 -0.484 . . . . 50.0 112.114 178.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m -67.57 -38.54 84.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.378 -0.827 . . . . 25.0 108.813 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -61.02 -39.63 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.043 -0.411 . . . . 50.0 110.574 176.294 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.91 -46.1 79.52 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.213 0.53 . . . . 50.0 111.617 177.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -34.79 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 -177.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.43 -37.54 87.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.954 0.353 . . . . 50.0 111.954 177.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp . . . . . 0 N--CA 1.475 0.814 0 CA-C-N 118.21 0.459 . . . . 50.0 111.23 178.472 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 CA-C-O 120.198 -0.223 . . . . 50.0 113.414 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.494 0.647 . . . . 50.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.07 -31.37 62.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.21 0.529 . . . . 50.0 110.135 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.44 -36.69 83.19 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.73 -0.606 . . . . 50.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -26.43 66.29 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.921 0.712 . . . . 50.0 112.921 173.489 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -78.23 -27.06 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.972 0.891 . . . . 50.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.15 75.48 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 50.0 110.841 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.13 -32.33 15.7 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.139 1.533 . . . . 50.0 115.139 -175.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -64.15 -30.45 71.51 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.419 -0.801 . . . . 50.0 112.07 178.404 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -86.05 -37.84 18.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.154 -0.684 . . . . 50.0 109.154 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.86 -33.22 34.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 115.752 -0.658 . . . . 50.0 109.905 175.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 4.3 tm-20 -50.8 -52.0 45.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.108 0.41 . . . . 50.0 112.108 178.082 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.46 -28.76 67.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.764 -0.585 . . . . 50.0 111.147 178.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -71.75 -23.59 61.63 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.698 -0.626 . . . . 50.0 111.966 175.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 52.8 mttm -60.92 -41.42 96.16 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.847 -1.908 . . . . 50.0 105.847 177.53 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.2 -46.65 40.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.123 176.085 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.0 95.86 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -174.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.77 -40.84 97.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 178.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -66.76 -43.54 83.81 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.362 0.505 . . . . 50.0 112.362 -178.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -69.36 -20.92 63.84 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.7 0.259 . . . . 25.0 111.7 -176.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.87 -20.23 62.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.789 0.328 . . . . 50.0 111.248 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.55 11.69 83.8 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 114.539 0.576 . . . . 50.0 114.539 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.97 131.49 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.627 0.727 . . . . 50.0 109.096 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.0 84.28 7.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.585 . . . . 50.0 110.591 -175.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -101.01 135.2 38.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 106.497 -1.668 . . . . 50.0 106.497 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -65.74 135.78 55.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.4 -1.704 . . . . 50.0 106.4 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.06 65.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.965 1.098 . . . . 50.0 113.965 -176.044 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.36 86.72 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 120.798 0.332 . . . . 25.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -74.16 -26.17 60.15 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.383 -0.198 . . . . 50.0 111.183 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.66 -52.86 18.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.754 -0.832 . . . . 50.0 108.754 176.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.157 0.799 . . . . 50.0 113.157 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.28 -41.94 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.334 0.588 . . . . 50.0 110.247 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -77.29 -23.7 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.403 -0.362 . . . . 50.0 111.883 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.98 -19.31 64.14 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -31.08 23.77 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.551 -0.718 . . . . 50.0 110.167 173.596 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.02 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.159 0.8 . . . . 50.0 113.159 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -39.43 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.537 -0.727 . . . . 50.0 109.278 176.685 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -64.81 -38.01 89.53 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.399 -0.593 . . . . 50.0 109.399 178.06 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.28 -50.79 71.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.153 0.501 . . . . 50.0 111.922 -177.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 m -76.75 -24.89 52.97 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.435 0.636 . . . . 25.0 111.659 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -126.59 80.14 70.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.422 -0.354 . . . . 50.0 111.791 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.51 -9.14 24.64 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-O 122.0 0.75 . . . . 50.0 112.212 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.33 -9.97 48.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.584 -0.735 . . . . 50.0 111.69 175.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.04 -48.54 27.59 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.763 -0.586 . . . . 50.0 111.492 177.763 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -69.41 -20.93 35.83 Favored 'Trans proline' 0 C--N 1.358 1.027 1 C-N-CA 112.529 -4.514 . . . . 50.0 112.863 174.355 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.39 -37.21 74.48 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.815 0.302 . . . . 50.0 111.815 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -78.17 -18.94 54.9 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.837 -0.539 . . . . 50.0 110.013 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.91 19.75 30.93 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 116.846 1.498 . . . . 50.0 116.846 170.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 m -130.86 134.07 46.47 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 -174.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.4 mt -124.48 103.11 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 122.522 1.153 . . . . 50.0 110.503 -171.497 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -144.3 163.49 33.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.433 -2.062 . . . . 50.0 105.433 174.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.07 -28.81 45.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.435 0.16 . . . . 50.0 111.241 -176.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.95 -38.43 85.83 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.976 -0.452 . . . . 50.0 110.807 177.045 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -85.56 -36.02 20.71 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 120.689 0.28 . . . . 50.0 110.79 179.167 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -62.71 -30.23 71.26 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.431 0.53 . . . . 50.0 112.431 179.462 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -61.4 -40.67 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.055 -0.403 . . . . 50.0 110.835 176.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.52 -31.4 66.01 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.999 0.74 . . . . 50.0 112.999 176.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.36 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.32 73.49 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.565 -1.014 . . . . 50.0 110.565 178.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 177.459 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -42.78 95.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.064 177.473 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.55 -37.46 86.23 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.72 -39.78 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.301 -0.159 . . . . 50.0 111.128 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.16 -44.58 83.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.951 0.881 . . . . 50.0 109.176 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.2 -39.24 94.06 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.57 -0.741 . . . . 50.0 110.209 178.177 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.53 -44.08 75.35 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 113.134 0.791 . . . . 50.0 113.134 178.59 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -30.7 70.08 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.922 0.783 . . . . 50.0 112.373 -171.461 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -61.54 -40.84 96.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 178.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -127.35 -1.85 6.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.825 2.158 . . . . 50.0 116.825 -174.139 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.82 -153.18 45.24 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.535 -1.026 . . . . 50.0 110.535 -174.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.75 -5.62 17.25 Favored 'Trans proline' 0 C--N 1.346 0.424 0 CA-C-N 118.499 1.15 . . . . 50.0 114.311 -178.227 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.28 -17.87 64.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -179.21 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -39.6 3.45 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.29 0.848 . . . . 50.0 113.29 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.44 130.84 24.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 106.442 -1.688 . . . . 50.0 106.442 174.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.05 151.54 39.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 114.674 -3.084 . . . . 50.0 111.151 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.14 -20.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 121.774 -0.579 . . . . 50.0 110.938 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -72.58 -21.15 61.19 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.721 -0.612 . . . . 25.0 111.216 176.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.45 83.5 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 119.911 -0.716 . . . . 25.0 109.278 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -71.59 -30.22 65.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.108 0.48 . . . . 50.0 110.788 177.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -72.18 -45.34 60.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.05 -44.66 94.52 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.185 175.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -60.48 -41.22 93.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.332 0.493 . . . . 50.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.1 -30.88 71.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 50.0 111.117 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 50.0 109.928 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.83 -30.44 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -57.92 -45.2 86.89 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.977 -0.452 . . . . 50.0 111.43 -178.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.4 -28.41 62.97 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.472 -0.891 . . . . 50.0 110.673 -179.521 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.6 -39.55 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.34 -0.225 . . . . 50.0 111.462 179.443 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.1 mt -73.52 -40.47 55.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 177.263 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.41 -32.13 72.92 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.801 0.334 . . . . 50.0 110.765 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -115.68 36.26 4.07 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.462 -0.336 . . . . 50.0 111.781 178.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -61.31 -22.44 64.88 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.169 0.509 . . . . 50.0 110.869 178.276 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.49 -27.92 69.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.934 1.087 . . . . 50.0 113.934 -179.355 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.55 8.95 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.564 0.697 . . . . 50.0 110.055 179.537 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -125.75 77.96 69.54 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.71 -22.94 27.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 117.358 -1.295 . . . . 50.0 115.182 -174.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -39.19 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 179.58 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -81.87 -31.22 10.58 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.425 0 C-N-CA 119.605 -0.838 . . . . 50.0 109.434 178.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -40.71 94.53 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.868 0.758 . . . . 50.0 111.039 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.28 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.92 0.39 . . . . 25.0 110.391 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -33.64 63.29 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.369 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.51 -47.08 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 176.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.36 -46.91 84.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.05 -35.68 79.33 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.169 0.433 . . . . 50.0 112.169 179.233 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -67.15 -40.07 86.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.471 ' HB3' ' HZ2' ' A' ' 111' ' ' LYS . 60.5 mt-10 -61.88 -40.17 94.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.726 -0.609 . . . . 50.0 111.2 175.366 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -61.62 -45.14 95.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.938 0.399 . . . . 50.0 110.475 179.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -67.47 -41.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.388 -0.369 . . . . 50.0 110.038 -178.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.28 -37.6 86.15 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.981 -0.449 . . . . 50.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HZ2' ' HB3' ' A' ' 107' ' ' GLU . 41.9 mttt . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.698 0.629 . . . . 50.0 112.698 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.477 0 N-CA-C 112.958 -0.057 . . . . 50.0 112.958 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -70.87 -28.04 64.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.968 -0.725 . . . . 50.0 109.988 -178.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.43 -43.77 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.673 0.749 . . . . 50.0 109.679 176.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.14 -36.37 77.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.66 -0.7 . . . . 50.0 111.29 176.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -62.05 -10.86 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.774 1.398 . . . . 50.0 114.774 175.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.1 -20.26 18.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.24 0.473 . . . . 50.0 111.094 178.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -80.75 92.18 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.9 -36.19 47.96 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.702 1.371 . . . . 50.0 114.702 -173.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.59 -34.43 75.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.335 0.588 . . . . 50.0 112.381 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -83.21 -39.79 20.49 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 178.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.51 -38.86 51.04 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.614 -0.721 . . . . 50.0 109.535 174.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -61.2 -38.26 85.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 179.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -67.1 -38.27 85.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.828 -0.749 . . . . 50.0 109.116 175.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.75 -23.69 63.42 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.733 0.642 . . . . 50.0 112.733 176.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.22 -35.03 76.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.731 -1.581 . . . . 50.0 106.731 177.247 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -83.9 -46.51 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.405 -0.361 . . . . 50.0 111.484 175.514 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.99 90.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -173.641 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.1 -37.25 86.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.154 -0.684 . . . . 50.0 109.154 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -70.49 -43.85 68.86 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.243 0.461 . . . . 50.0 112.243 179.452 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.9 p -68.96 -12.4 61.61 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -175.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -24.15 63.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.577 -0.527 . . . . 50.0 109.577 174.203 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.2 76.92 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 121.123 -0.561 . . . . 50.0 113.53 178.185 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.34 151.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -178.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -80.91 84.91 6.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.416 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.24 152.97 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 176.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -104.78 145.0 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.312 -1.366 . . . . 50.0 107.312 -178.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -50.99 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.394 0.516 . . . . 50.0 112.394 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.09 77.9 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.247 -177.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -73.9 -36.4 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.619 0.229 . . . . 50.0 111.619 -178.088 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.79 -53.29 56.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.806 -0.813 . . . . 50.0 108.806 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.45 -21.49 66.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 178.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -65.09 -30.9 71.88 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.093 -1.004 . . . . 50.0 110.349 176.122 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -79.77 -23.82 41.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.123 -0.361 . . . . 50.0 111.12 176.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -73.08 -30.67 63.86 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 107.684 -1.228 . . . . 50.0 107.684 175.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.02 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 50.0 110.358 177.778 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.2 -25.34 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.209 178.257 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -47.42 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 108.337 -0.986 . . . . 50.0 108.337 174.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -67.05 -43.56 82.42 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.06 -0.656 . . . . 50.0 111.963 -169.161 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.92 -21.64 60.86 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.173 0.434 . . . . 50.0 112.173 -175.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -95.41 -32.97 12.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 25.0 111.317 176.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 77.66 73.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 123.469 0.708 . . . . 50.0 109.886 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.63 -19.94 36.08 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 117.846 -0.969 . . . . 50.0 112.136 -178.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.37 -16.42 60.38 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 177.274 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.92 -51.08 20.09 Favored Pre-proline 0 N--CA 1.467 0.406 0 O-C-N 121.42 -0.8 . . . . 50.0 113.037 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.52 -20.67 47.34 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 113.184 -4.077 . . . . 50.0 113.474 177.796 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.07 -15.74 63.04 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.924 0.342 . . . . 50.0 111.924 178.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.6 -20.59 56.6 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.951 -0.468 . . . . 50.0 110.427 176.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.08 16.37 40.49 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 114.671 0.628 . . . . 50.0 114.671 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.9 m -139.29 134.14 32.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -174.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.09 100.8 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.81 1.291 . . . . 50.0 109.531 -176.146 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 158.09 44.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 104.73 -2.322 . . . . 50.0 104.73 176.846 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.43 -29.66 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -173.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -72.52 -32.22 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 -176.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -78.13 -36.19 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.772 -0.825 . . . . 50.0 108.772 176.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -62.98 -26.91 69.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 50.0 112.327 177.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -54.43 -45.58 73.06 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.708 -0.478 . . . . 50.0 109.708 177.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -53.06 -34.01 54.58 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 113.369 0.877 . . . . 50.0 113.369 -177.718 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.29 -40.52 82.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.604 . . . . 50.0 110.178 -177.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.65 -33.69 41.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.408 -0.901 . . . . 50.0 111.019 -179.32 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -39.72 94.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.17 -45.26 92.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.884 -0.598 . . . . 50.0 111.656 178.001 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.43 -40.24 90.35 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 178.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.36 -43.41 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.905 0.335 . . . . 50.0 111.905 -177.307 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.0 -46.16 90.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.48 . . . . 50.0 109.745 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.302 0.572 . . . . 50.0 110.219 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.82 -39.08 93.0 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.31 -0.405 . . . . 50.0 111.86 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -34.94 70.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.756 -0.59 . . . . 50.0 109.611 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.5 m -65.7 -46.21 79.86 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 179.218 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 2.41 6.39 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 119.052 2.982 . . . . 50.0 119.052 -173.134 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.97 179.42 48.83 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 116.871 1.509 . . . . 50.0 116.871 175.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.19 -9.64 26.41 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.397 2.731 . . . . 50.0 115.307 -176.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.5 -20.04 60.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.033 0.444 . . . . 50.0 111.239 177.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -108.59 -36.99 6.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.937 -0.574 . . . . 50.0 111.345 -171.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.64 131.09 24.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 105.1 -2.185 . . . . 50.0 105.1 168.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -82.48 152.06 15.43 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 115.62 -2.454 . . . . 50.0 113.14 -179.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.85 -22.93 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.857 -0.527 . . . . 50.0 111.734 177.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -70.15 -24.91 63.24 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.584 -0.698 . . . . 25.0 111.157 178.29 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.95 79.67 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 120.203 -0.599 . . . . 25.0 110.69 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -70.4 -33.84 71.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.563 0.697 . . . . 50.0 110.685 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.727 -0.842 . . . . 50.0 108.727 -179.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.63 -39.28 84.66 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.888 -0.596 . . . . 50.0 110.228 176.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -59.15 -39.82 83.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.067 0.46 . . . . 50.0 110.71 178.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -66.58 -28.56 68.61 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tt -64.74 -47.4 78.37 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.467 -0.938 . . . . 50.0 108.467 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.78 -32.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 -179.204 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.82 -47.37 80.45 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 110.133 -0.321 . . . . 50.0 110.133 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.28 -24.76 54.46 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.871 -1.132 . . . . 50.0 110.918 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.84 -43.6 95.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.181 -0.324 . . . . 50.0 111.712 174.159 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.49 -42.84 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.922 -0.399 . . . . 50.0 109.922 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.79 -31.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.442 0.639 . . . . 50.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -110.98 23.55 14.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 50.0 111.772 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -59.38 -28.16 66.63 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 -175.317 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -74.01 -16.7 61.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.995 0.739 . . . . 50.0 112.995 -171.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -113.43 8.35 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.51 0.671 . . . . 50.0 109.684 175.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -129.91 78.04 75.68 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.69 -0.686 . . . . 50.0 109.347 178.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.14 -23.39 45.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 N-CA-C 115.81 1.427 . . . . 50.0 115.81 -173.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -67.39 -35.12 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.654 -0.654 . . . . 50.0 109.583 178.379 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 120.421 -0.511 . . . . 50.0 110.46 177.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.51 -39.05 92.29 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.854 -0.529 . . . . 50.0 111.505 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.78 68.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 177.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.26 -34.89 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.118 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.62 -52.7 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.081 -1.081 . . . . 50.0 108.081 177.021 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.09 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.192 -178.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.78 -37.99 89.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.202 -0.599 . . . . 50.0 111.633 178.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -68.47 -39.72 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.777 -0.769 . . . . 25.0 108.943 -178.743 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.64 -41.34 90.27 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.28 -0.168 . . . . 50.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.88 -37.81 70.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.143 0.794 . . . . 50.0 113.143 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.06 -35.55 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 178.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.39 -22.8 67.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.291 0.849 . . . . 50.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp . . . . . 0 N--CA 1.474 0.742 0 CA-C-N 118.085 0.402 . . . . 50.0 111.088 179.972 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.179 0 N-CA-C 111.177 -0.769 . . . . 50.0 111.177 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.96 -39.18 79.65 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.521 -0.399 . . . . 50.0 109.998 177.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -33.6 75.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 50.0 109.987 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.7 -40.84 61.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.211 -0.306 . . . . 50.0 110.762 178.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -59.98 -29.19 68.28 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.662 0.616 . . . . 50.0 112.662 172.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -84.35 -19.09 34.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.127 -0.358 . . . . 50.0 111.876 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -83.2 90.89 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.893 -0.504 . . . . 50.0 110.962 -178.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -40.63 29.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.971 1.471 . . . . 50.0 114.971 -175.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -62.36 -36.99 83.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.009 0.744 . . . . 50.0 113.009 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -78.88 -37.94 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 179.43 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.03 -37.91 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 175.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -59.74 -44.17 93.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 122.059 -0.401 . . . . 50.0 111.46 178.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.51 76.53 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.71 -23.47 66.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -179.041 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.19 -23.3 66.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 50.0 109.572 176.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -83.74 -54.3 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.837 -0.431 . . . . 50.0 109.837 173.108 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.19 87.53 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.968 1.469 . . . . 25.0 114.968 -174.123 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -37.41 83.03 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 178.722 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.43 -36.15 58.13 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.762 1.023 . . . . 50.0 113.762 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -67.3 -25.51 66.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.553 0.615 . . . . 25.0 112.135 -176.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.33 59.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.453 -0.499 . . . . 50.0 109.696 175.001 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.07 14.83 82.21 Favored Glycine 0 C--O 1.231 -0.08 0 N-CA-C 111.294 -0.722 . . . . 50.0 111.294 -178.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -85.07 121.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.027 0.918 . . . . 50.0 109.122 -177.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -86.2 84.74 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 50.0 110.51 -177.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.28 159.11 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.8 161.25 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.565 -1.642 . . . . 50.0 106.565 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.95 -38.12 81.54 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.902 -0.499 . . . . 50.0 110.142 174.371 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.58 78.3 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.046 0.45 . . . . 25.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -72.66 -38.0 67.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.716 -0.674 . . . . 50.0 109.339 -175.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -54.18 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.466 0.913 . . . . 50.0 113.466 -175.473 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.93 -21.56 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -53.69 -38.08 63.86 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.232 0.539 . . . . 50.0 110.501 173.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.44 -23.9 39.95 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.654 0.612 . . . . 50.0 112.654 -178.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.9 -34.47 77.85 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 173.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -37.17 82.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 50.0 110.312 -179.374 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.19 -38.68 92.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.889 -0.596 . . . . 50.0 112.557 -179.027 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -26.52 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.802 -0.562 . . . . 50.0 111.295 -178.725 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -62.76 -36.08 81.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.972 -0.381 . . . . 50.0 109.972 -176.139 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.85 -52.82 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 50.0 111.765 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -26.77 65.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.707 0.765 . . . . 25.0 112.883 -176.462 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.5 m -129.35 78.0 76.55 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.774 -0.648 . . . . 50.0 110.894 178.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.36 -18.62 29.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-O 121.581 0.575 . . . . 50.0 112.777 -178.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -19.33 59.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 50.0 111.704 176.514 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.54 -53.58 28.7 Favored Pre-proline 0 CA--C 1.544 0.73 0 O-C-N 121.676 -0.64 . . . . 50.0 111.522 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.42 -24.28 22.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.941 -3.572 . . . . 50.0 113.693 175.326 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.24 -43.39 95.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 50.0 111.432 -178.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -80.89 -19.56 44.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 50.0 110.089 178.795 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.79 31.92 73.05 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 121.394 -0.431 . . . . 50.0 113.807 174.811 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m -125.84 128.92 48.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.546 0.673 . . . . 25.0 109.563 -175.648 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -122.75 104.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.563 1.173 . . . . 50.0 110.519 -173.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -146.59 161.4 40.59 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.422 -1.325 . . . . 50.0 107.422 176.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -60.35 -39.09 79.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 119.294 -0.384 . . . . 50.0 111.515 -175.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -60.69 -29.07 69.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.543 0.61 . . . . 50.0 112.098 -179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -83.03 -36.96 24.55 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 122.409 -0.182 . . . . 50.0 110.593 175.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -64.67 -29.03 70.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.09 0.774 . . . . 50.0 113.09 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -59.73 -47.21 86.55 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.767 0.794 . . . . 75.0 109.28 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.84 -31.0 64.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 113.842 -1.526 . . . . 50.0 113.313 177.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.71 -37.24 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.767 -0.827 . . . . 50.0 108.767 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -37.17 61.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.437 -0.801 . . . . 50.0 111.539 178.338 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -64.41 -34.8 79.01 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 175.864 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -45.27 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.647 0.261 . . . . 50.0 110.831 177.025 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.38 -36.71 84.79 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.347 -0.541 . . . . 50.0 109.746 177.774 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -66.32 -41.29 89.88 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.404 -0.362 . . . . 50.0 111.006 -177.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -72.51 -37.22 68.42 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.553 0.692 . . . . 50.0 110.82 -179.222 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.03 -38.17 90.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.272 -1.01 . . . . 50.0 108.272 175.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.0 -36.12 77.46 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.957 -0.565 . . . . 50.0 110.812 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.39 -35.4 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.716 -0.615 . . . . 50.0 109.675 178.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 m -76.63 -42.87 40.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.854 0.686 . . . . 25.0 112.854 -176.687 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -123.42 1.78 9.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.767 2.136 . . . . 50.0 116.767 -172.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.07 -171.56 52.35 Favored Glycine 0 C--O 1.245 0.823 0 N-CA-C 115.318 0.887 . . . . 50.0 115.318 177.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.26 -8.07 22.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.655 1.57 . . . . 50.0 113.059 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -69.19 -17.47 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.606 . . . . 50.0 110.997 179.358 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -116.36 -43.75 2.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.377 0.51 . . . . 50.0 112.377 -178.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.51 131.01 22.52 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 107.187 -1.412 . . . . 50.0 107.187 177.106 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.9 151.67 21.59 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 115.184 -2.744 . . . . 50.0 111.509 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.55 -20.63 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 O-C-N 121.781 -0.574 . . . . 50.0 110.918 177.599 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -74.01 -18.86 60.8 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.592 -0.692 . . . . 25.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.66 84.41 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 119.914 -0.715 . . . . 25.0 109.168 178.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.09 -31.35 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 50.0 110.856 178.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -70.99 -45.39 64.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.724 -0.671 . . . . 50.0 109.912 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -59.42 -37.5 78.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.478 -0.328 . . . . 50.0 111.572 179.522 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -64.16 -32.18 73.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.613 -0.267 . . . . 50.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.43 -38.81 91.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.102 0.477 . . . . 50.0 111.213 178.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.46 -32.08 21.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 177.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -59.21 -46.4 88.54 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.775 -0.578 . . . . 50.0 109.946 179.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -70.41 -29.53 66.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.296 0.498 . . . . 50.0 110.639 -179.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -54.78 42.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 50.0 110.21 175.193 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.08 -36.5 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.632 -0.427 . . . . 50.0 110.367 -175.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.52 -33.22 67.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 50.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -118.77 31.42 6.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.411 0.523 . . . . 50.0 112.411 179.156 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -66.52 -23.19 66.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.288 0.566 . . . . 50.0 109.914 176.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.78 -28.28 68.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.998 1.111 . . . . 50.0 113.998 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.87 11.43 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.086 0.47 . . . . 50.0 111.255 -176.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -130.79 100.02 17.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.607 -0.27 . . . . 50.0 111.493 -177.145 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.67 -27.23 27.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 N-CA-C 115.59 1.342 . . . . 50.0 115.59 -176.554 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -64.58 -38.41 90.93 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.558 -0.904 . . . . 50.0 108.558 177.701 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -72.66 -50.85 31.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.732 -0.667 . . . . 50.0 110.97 178.636 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -62.32 -32.69 73.48 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.256 -0.278 . . . . 50.0 111.022 -173.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.62 80.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 122.006 -0.434 . . . . 25.0 110.567 174.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -37.89 67.24 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.11 -52.92 54.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 -178.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.83 98.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.245 0.341 . . . . 25.0 110.148 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.52 -39.59 94.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 120.62 -0.432 . . . . 50.0 111.759 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.4 m -69.66 -35.74 75.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.771 -0.772 . . . . 25.0 109.297 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.06 -40.84 95.2 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 122.025 -0.422 . . . . 50.0 110.361 175.238 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.07 -46.38 77.92 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.166 0.508 . . . . 50.0 111.53 176.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.81 -40.01 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 50.0 110.797 -175.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -37.71 88.38 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 121.037 -0.265 . . . . 50.0 110.921 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.0 mttm . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -179.901 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.139 0 N-CA-C 111.716 -0.554 . . . . 50.0 111.716 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -67.75 -36.76 81.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.425 -0.456 . . . . 50.0 111.233 179.443 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.49 -30.82 47.43 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 119.554 -0.858 . . . . 50.0 110.086 178.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.68 -41.04 98.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.894 -0.503 . . . . 50.0 111.028 178.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -13.56 18.68 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.555 1.317 . . . . 50.0 114.555 176.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -122.89 24.09 9.14 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.839 0.828 . . . . 50.0 110.377 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -115.31 85.54 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.487 -2.042 . . . . 50.0 105.487 174.28 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -50.59 -37.33 39.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 116.927 2.195 . . . . 50.0 116.927 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -55.41 -38.09 68.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.052 0.842 . . . . 50.0 111.596 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -81.07 -36.06 30.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 50.0 109.881 -179.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.96 -39.73 80.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.546 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.76 -42.28 88.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.878 0.763 . . . . 50.0 111.522 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.24 -41.02 99.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.671 -0.492 . . . . 50.0 109.671 177.663 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.78 -23.75 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.556 0.947 . . . . 50.0 113.556 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.99 -35.86 77.93 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 107.635 -1.246 . . . . 50.0 107.635 178.371 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.71 -45.56 13.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.571 . . . . 50.0 110.644 176.312 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.0 87.71 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.074 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.34 -37.16 77.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.315 -0.624 . . . . 75.0 109.315 178.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -73.84 -26.35 60.54 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 114.015 1.117 . . . . 50.0 114.015 179.534 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.5 p -63.36 -28.3 69.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.923 0.783 . . . . 25.0 113.03 -175.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -6.89 50.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.96 0.41 . . . . 50.0 110.982 179.051 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.18 3.81 57.94 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 114.266 0.466 . . . . 50.0 114.266 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -80.76 106.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.712 -0.847 . . . . 50.0 108.712 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -81.95 84.5 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 50.0 111.071 -176.399 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 176.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -73.6 147.84 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 179.248 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -47.89 76.24 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 111.485 0.18 . . . . 50.0 111.485 177.552 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.51 74.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 120.754 0.312 . . . . 25.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.455 -0.572 . . . . 50.0 109.455 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -53.66 8.69 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.189 -0.604 . . . . 50.0 111.409 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.89 -19.98 61.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.973 0.731 . . . . 50.0 112.973 178.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -55.15 -39.13 69.13 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.862 -0.524 . . . . 50.0 110.403 172.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -79.36 -23.91 43.05 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.959 -0.463 . . . . 50.0 111.64 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -70.68 -22.24 62.49 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 171.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.71 -34.61 22.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.786 -0.571 . . . . 50.0 110.491 177.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.16 -33.88 74.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.49 54.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 121.743 -0.598 . . . . 50.0 110.541 177.391 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -63.69 -32.6 74.14 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.891 -0.506 . . . . 50.0 112.079 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.1 -53.48 20.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.177 0.513 . . . . 50.0 110.666 178.74 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.73 -28.94 58.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -175.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.01 78.95 58.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 112.924 0.713 . . . . 50.0 112.924 -177.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -69.29 -15.53 38.92 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 118.262 -0.692 . . . . 50.0 112.077 177.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 177.352 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -65.13 -51.56 54.01 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 121.437 -0.79 . . . . 50.0 111.554 178.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.84 -20.1 30.15 Favored 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 113.083 -4.144 . . . . 50.0 113.481 176.347 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.6 -39.36 93.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.731 0.301 . . . . 50.0 111.37 179.249 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -67.98 -23.53 65.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 121.022 -0.271 . . . . 50.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.81 57.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.805 -0.236 . . . . 50.0 113.321 176.199 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -133.42 129.66 37.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 -173.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.9 mt -124.99 112.51 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.782 1.277 . . . . 50.0 109.683 -178.055 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -152.08 169.0 23.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 103.106 -2.924 . . . . 50.0 103.106 179.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -30.2 49.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 118.157 0.435 . . . . 50.0 110.957 178.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -67.59 -31.59 71.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.757 -0.589 . . . . 50.0 110.425 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -81.24 -39.84 24.7 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.207 0.527 . . . . 50.0 109.591 178.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 50.0 111.565 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.77 -36.9 80.1 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.147 -0.454 . . . . 50.0 111.181 176.111 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -53.78 -36.05 62.0 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 120.788 0.328 . . . . 50.0 111.434 176.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.41 -40.29 79.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.154 0.502 . . . . 50.0 110.674 -175.014 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -37.9 70.03 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.965 -1.254 . . . . 50.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.06 -41.9 98.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 177.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.88 91.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.757 -0.656 . . . . 50.0 112.592 179.427 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.43 -38.81 91.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 179.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -66.79 -41.58 87.39 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.874 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.65 -38.85 77.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.508 0.67 . . . . 50.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 176.767 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -67.65 -34.08 76.23 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.499 -0.318 . . . . 50.0 110.579 175.73 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.53 -32.59 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 177.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -81.12 -43.59 19.19 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -176.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -123.26 5.73 9.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.457 1.651 . . . . 50.0 115.457 -174.222 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.27 -168.88 47.57 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 116.043 1.177 . . . . 50.0 116.043 174.752 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -61.67 -16.37 48.02 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.798 2.998 . . . . 50.0 115.301 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.71 -35.99 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.508 0.558 . . . . 50.0 112.508 -175.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -91.47 -43.41 9.72 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.335 -0.546 . . . . 50.0 110.487 178.458 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.62 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 105.879 -1.897 . . . . 50.0 105.879 174.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.43 155.82 14.26 Favored 'Trans proline' 0 CA--C 1.517 -0.339 0 C-N-CA 115.827 -2.316 . . . . 50.0 111.905 177.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.24 -21.72 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.77 -0.581 . . . . 50.0 110.914 176.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -73.5 -19.94 60.8 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.509 -0.745 . . . . 25.0 111.335 177.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.34 83.61 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 179.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -70.09 -34.08 72.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.217 0.532 . . . . 50.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -69.26 -44.09 72.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.87 -0.789 . . . . 50.0 108.87 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -64.56 -44.0 92.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.792 -0.64 . . . . 50.0 109.398 176.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -58.03 -40.1 80.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.415 -0.357 . . . . 50.0 111.713 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.43 -30.69 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.463 -179.393 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.07 -45.09 82.53 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.129 -0.693 . . . . 50.0 109.129 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.94 -31.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.513 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -58.61 -45.32 89.43 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 119.0 -0.524 . . . . 50.0 109.996 179.408 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -27.95 62.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 119.109 0.868 . . . . 50.0 111.125 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -41.29 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.139 -0.224 . . . . 50.0 110.748 176.798 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.85 -39.23 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.808 -0.357 . . . . 50.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.24 -33.62 67.75 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.837 0.351 . . . . 50.0 110.868 -178.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -120.33 33.57 5.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.226 0.536 . . . . 50.0 111.994 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -66.53 -19.13 65.71 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.181 0.515 . . . . 50.0 110.366 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.62 -31.39 72.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 178.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.26 7.47 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.647 0.737 . . . . 50.0 109.869 179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -126.97 79.77 72.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 178.496 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.01 -18.77 46.21 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 117.489 -1.207 . . . . 50.0 113.957 -176.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.62 -44.91 89.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.608 -0.886 . . . . 50.0 108.608 179.475 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.91 -29.02 9.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 C-N-CA 120.087 -0.645 . . . . 50.0 110.504 -179.796 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -60.02 -40.76 90.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.453 0.57 . . . . 50.0 110.241 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.019 -0.426 . . . . 25.0 110.59 176.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.65 -34.35 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.227 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.65 -49.16 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 177.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.41 98.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.388 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.69 -36.2 83.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.106 0.41 . . . . 50.0 112.106 178.004 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.6 m -66.95 -38.56 86.35 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.3 -35.3 79.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 119.083 -0.484 . . . . 50.0 111.439 176.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.14 -47.81 81.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.579 0.704 . . . . 50.0 110.221 176.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.2 mt -64.1 -32.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.502 -0.772 . . . . 50.0 109.909 -176.077 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.38 -27.46 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 175.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp . . . . . 0 N--CA 1.473 0.679 0 O-C-N 121.826 -0.546 . . . . 50.0 111.588 176.456 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.182 0 N-CA-C 114.093 0.397 . . . . 50.0 114.093 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.66 -42.6 77.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.16 -0.612 . . . . 50.0 110.098 -174.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -71.35 -30.49 66.23 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.302 -178.738 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.52 -38.93 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.984 -0.448 . . . . 50.0 110.401 176.132 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.52 -8.11 31.22 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.402 0.89 . . . . 50.0 113.402 175.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -108.8 -13.3 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 50.0 111.282 179.405 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -81.06 94.17 6.54 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 122.107 -0.37 . . . . 50.0 110.179 -178.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -43.66 -44.92 6.68 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.855 1.798 . . . . 50.0 115.855 -173.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.8 -34.18 74.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.521 0.676 . . . . 50.0 112.105 -178.171 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -83.75 -39.83 19.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 50.0 109.256 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.3 -41.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.67 -0.695 . . . . 50.0 110.729 177.424 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.61 -43.66 93.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.994 0.816 . . . . 50.0 111.572 178.771 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.45 -41.54 96.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.276 -0.638 . . . . 50.0 109.276 178.216 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.48 -23.62 65.51 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.1 0.778 . . . . 50.0 113.1 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.05 -33.45 75.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.87 -45.2 13.5 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.46 -0.336 . . . . 50.0 110.297 177.349 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.09 96.44 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 -176.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.79 88.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.116 -1.068 . . . . 50.0 108.116 176.647 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.34 -43.62 85.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.238 0.459 . . . . 50.0 112.238 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -68.63 -18.67 64.34 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -177.614 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -21.56 61.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 176.094 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.05 22.54 78.77 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.023 -0.608 . . . . 50.0 113.604 176.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.26 143.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 50.0 110.085 -176.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -83.19 84.44 7.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 50.0 110.166 -178.1 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -131.5 132.77 62.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.156 -1.794 . . . . 50.0 106.156 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -79.0 158.74 27.88 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 107.593 -1.262 . . . . 50.0 107.593 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.03 -46.28 78.88 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 121.937 -0.477 . . . . 50.0 110.484 173.88 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.67 76.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -67.7 -43.46 80.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 -176.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.58 -55.3 10.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.316 0.579 . . . . 50.0 111.78 -177.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.0 -19.83 65.47 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.766 0.654 . . . . 50.0 112.766 -177.301 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -60.17 -32.0 70.64 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 119.961 -0.696 . . . . 50.0 110.623 173.278 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.9 -23.81 36.06 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.571 -0.705 . . . . 50.0 111.776 178.315 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.36 -25.65 65.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.614 -1.254 . . . . 50.0 107.614 169.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.65 -22.78 37.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.153 0.501 . . . . 50.0 111.258 176.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -71.94 -41.28 68.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.809 -0.557 . . . . 50.0 109.732 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.17 -26.43 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 122.091 -0.381 . . . . 50.0 110.082 177.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.64 -39.25 76.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.747 0.308 . . . . 50.0 110.35 176.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.5 -55.24 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.804 -0.635 . . . . 50.0 112.684 -178.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -24.54 62.79 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -174.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.85 76.76 70.78 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 50.0 109.817 176.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.9 -12.76 28.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.72 0.633 . . . . 50.0 112.327 -177.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -17.9 38.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.63 -0.714 . . . . 50.0 111.82 176.523 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.81 -49.21 87.02 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -177.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.09 -20.46 37.94 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 113.061 -4.16 . . . . 50.0 113.954 177.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.75 -15.64 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.889 0.329 . . . . 50.0 111.889 178.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -77.99 -30.62 50.26 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.613 -0.435 . . . . 50.0 110.342 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.22 20.52 58.48 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.159 -0.543 . . . . 50.0 111.749 -175.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -131.22 127.33 37.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -173.165 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -128.81 105.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.799 1.285 . . . . 50.0 109.757 -177.667 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -146.77 166.91 25.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 104.646 -2.353 . . . . 50.0 104.646 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.46 -30.2 47.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.871 -0.418 . . . . 50.0 109.871 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -65.73 -27.4 68.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.253 -0.279 . . . . 50.0 111.622 179.58 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.59 -49.0 8.37 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.631 0.729 . . . . 50.0 109.126 175.072 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -59.14 -35.83 74.16 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 114.854 1.428 . . . . 50.0 114.854 -175.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -58.41 -36.71 73.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.953 0.406 . . . . 50.0 111.942 -176.621 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -63.87 -21.02 66.26 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.45 1.278 . . . . 50.0 114.45 177.042 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 -37.72 80.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -35.13 64.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.871 -0.892 . . . . 50.0 110.871 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.13 -41.51 98.33 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 176.509 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -43.47 96.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.43 -0.805 . . . . 50.0 111.958 179.098 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -63.89 -38.18 90.15 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -68.05 -39.6 82.99 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 121.069 -0.252 . . . . 50.0 110.636 -177.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.27 -45.01 93.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.633 0.73 . . . . 50.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.25 -35.2 79.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -65.61 -37.29 86.18 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.281 -0.418 . . . . 50.0 110.652 176.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.03 -33.55 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.883 -0.511 . . . . 50.0 111.659 -177.123 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -69.64 -42.77 73.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -175.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.24 1.66 6.41 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.598 1.703 . . . . 50.0 115.598 -174.249 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.94 -162.86 48.97 Favored Glycine 0 C--O 1.243 0.709 0 C-N-CA 120.756 -0.735 . . . . 50.0 113.371 -178.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.64 -7.31 21.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 121.179 1.253 . . . . 50.0 114.386 -178.018 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -74.9 -5.82 45.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.225 0.536 . . . . 50.0 111.174 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -115.46 -46.5 2.87 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.365 0.506 . . . . 50.0 112.365 179.317 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.16 131.04 24.47 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.187 -2.153 . . . . 50.0 105.187 176.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -76.63 153.51 34.29 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 114.612 -3.125 . . . . 50.0 111.382 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.83 -20.95 28.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 121.841 -0.537 . . . . 50.0 110.625 177.07 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.2 -17.95 60.83 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.661 -0.65 . . . . 25.0 111.593 177.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.2 82.96 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.571 -0.706 . . . . 25.0 109.478 178.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -72.67 -28.63 62.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.304 0.573 . . . . 50.0 110.738 178.152 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -73.97 -44.45 54.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.815 -0.809 . . . . 50.0 108.815 179.591 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.57 -43.12 99.59 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.694 -0.685 . . . . 50.0 109.221 175.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -57.9 -37.99 75.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.735 0.302 . . . . 50.0 111.211 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -69.42 -30.51 68.48 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.438 -0.346 . . . . 50.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.3 -44.16 88.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 50.0 110.172 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.97 -31.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.183 0.516 . . . . 25.0 109.795 179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -52.6 -51.14 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.22 -0.3 . . . . 50.0 111.313 179.425 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.2 -29.38 66.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.226 -0.589 . . . . 50.0 111.578 -178.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.41 -40.07 89.35 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.224 -0.297 . . . . 50.0 111.2 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -77.24 -42.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.724 -0.473 . . . . 50.0 109.724 178.159 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.22 -36.99 78.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 50.0 110.717 -176.463 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -113.87 38.64 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.08 -25.22 65.23 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.226 0.536 . . . . 50.0 109.784 176.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.95 -30.09 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.18 1.178 . . . . 50.0 114.18 -179.18 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.21 7.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 121.516 0.674 . . . . 50.0 110.063 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -125.46 78.07 68.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.336 -0.987 . . . . 50.0 108.336 176.677 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -19.07 42.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.465 -1.224 . . . . 50.0 114.406 -175.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.359 -0.978 . . . . 50.0 108.359 178.163 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.02 -27.12 14.77 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 C-N-CA 119.98 -0.688 . . . . 50.0 110.589 -177.628 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -41.56 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.809 0.731 . . . . 50.0 110.669 178.019 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.65 -27.92 68.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.086 0.47 . . . . 25.0 110.419 176.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.42 -30.47 53.5 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.77 -48.21 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 107.799 -1.186 . . . . 50.0 107.799 176.376 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.85 98.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.08 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.62 -40.79 96.12 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.438 -0.505 . . . . 50.0 111.479 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -66.86 -37.76 85.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.0 -39.9 93.8 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.001 -0.437 . . . . 50.0 110.664 177.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.27 -41.2 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.235 -0.29 . . . . 50.0 111.546 178.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.06 -37.76 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.59 -36.28 80.21 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.13 -0.356 . . . . 50.0 111.276 176.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 C--N 1.324 -0.541 0 O-C-N 122.109 -0.37 . . . . 50.0 111.768 177.564 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.143 0 N-CA-C 112.712 -0.155 . . . . 50.0 112.712 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.15 -36.65 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.927 0.363 . . . . 50.0 111.451 178.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.24 -43.23 61.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.401 -0.963 . . . . 50.0 108.401 176.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.7 -41.87 91.75 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 111.801 0.297 . . . . 50.0 111.801 -177.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -59.77 -24.4 64.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.741 1.756 . . . . 50.0 115.741 172.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -98.2 -14.08 20.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 50.0 110.333 -178.708 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -80.51 75.95 7.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.164 -0.68 . . . . 50.0 109.164 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.66 -33.61 10.3 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 115.232 1.567 . . . . 50.0 115.232 -173.246 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -62.07 -33.21 73.99 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.224 -0.923 . . . . 50.0 112.303 177.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -83.64 -38.06 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 177.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.29 -39.62 68.85 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 CA-C-O 118.892 -0.575 . . . . 50.0 110.105 176.33 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -55.69 -45.01 77.89 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.343 0.974 . . . . 50.0 112.039 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -69.07 -34.47 75.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.822 -0.549 . . . . 50.0 110.226 178.707 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.244 -0.583 . . . . 50.0 112.144 175.041 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.59 -38.68 91.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 177.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.89 -48.37 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 176.169 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.03 92.41 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.68 -39.06 90.92 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 178.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.07 -45.88 83.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.938 0.347 . . . . 50.0 111.938 -179.151 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -70.97 -18.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.569 -0.453 . . . . 25.0 111.057 -179.099 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -26.31 57.48 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.233 -0.292 . . . . 50.0 110.513 176.479 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 11.38 74.86 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 111.072 -0.811 . . . . 50.0 111.072 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.19 125.66 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.71 0.767 . . . . 50.0 110.345 -172.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.7 84.64 3.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.719 -1.215 . . . . 50.0 107.719 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -147.59 139.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 104.441 -2.429 . . . . 50.0 104.441 -179.046 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.92 138.45 58.38 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 178.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -51.37 25.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.135 1.161 . . . . 50.0 114.135 -179.568 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.79 -29.04 69.88 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 120.924 0.392 . . . . 25.0 111.259 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.56 -19.34 45.88 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.535 -0.302 . . . . 50.0 111.513 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.61 -52.19 8.3 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.552 -1.277 . . . . 50.0 107.552 173.097 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.8 -33.32 48.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.251 -0.886 . . . . 50.0 112.976 176.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -49.78 -38.04 32.52 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.757 0.651 . . . . 50.0 112.757 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -73.16 -24.26 60.55 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.657 -0.652 . . . . 50.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -73.37 -24.21 60.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.791 -0.568 . . . . 50.0 110.228 174.068 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.26 -29.58 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.462 0.649 . . . . 50.0 109.331 177.31 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.88 -34.09 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.288 178.342 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.11 -30.74 42.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.161 -0.616 . . . . 50.0 109.817 177.299 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -37.68 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.988 -0.745 . . . . 50.0 108.988 178.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.98 -47.91 34.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.496 -0.775 . . . . 50.0 111.154 -179.408 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -72.71 -38.23 67.56 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -176.397 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 82.74 45.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 122.134 -0.353 . . . . 50.0 110.225 -178.157 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.6 -16.75 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 CA-C-O 121.669 0.612 . . . . 50.0 112.037 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -11.04 59.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.018 176.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -71.17 -52.72 8.93 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.394 -0.816 . . . . 50.0 111.857 177.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.45 -20.06 48.45 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 113.61 -3.793 . . . . 50.0 113.453 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -63.16 -25.11 68.19 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.597 0.359 . . . . 50.0 111.951 177.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.03 -16.65 62.62 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.859 -0.526 . . . . 50.0 111.273 178.217 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.74 14.33 43.36 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 116.176 1.23 . . . . 50.0 116.176 174.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -137.88 140.06 40.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -173.303 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mm -114.18 113.65 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 122.895 1.331 . . . . 50.0 109.517 178.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -152.11 158.47 43.01 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.109 -1.405 . . . . 50.0 107.654 176.193 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.65 -29.95 48.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.367 -0.379 . . . . 50.0 111.231 -176.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -66.26 -33.16 75.11 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.065 -0.397 . . . . 50.0 110.063 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -81.38 -33.87 32.03 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.589 -0.523 . . . . 50.0 109.589 178.238 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -63.78 -26.6 68.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 50.0 111.708 177.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -55.06 -46.62 75.42 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 176.127 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -57.61 -29.41 64.5 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 113.546 0.943 . . . . 50.0 113.546 -177.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.23 -40.15 80.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.594 0.711 . . . . 50.0 109.207 -179.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -35.94 59.12 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.499 -1.04 . . . . 50.0 110.499 178.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.1 -37.91 89.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 177.218 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -44.33 96.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 50.0 111.239 177.532 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.16 -38.0 89.18 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.271 -0.572 . . . . 50.0 109.524 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -64.29 -43.68 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.65 0.262 . . . . 50.0 110.739 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -62.86 -48.32 79.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.745 0.783 . . . . 50.0 109.628 -177.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -33.32 75.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.005 -0.543 . . . . 50.0 110.854 179.444 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -67.82 -36.91 81.21 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.907 -0.496 . . . . 50.0 110.906 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.784 -0.572 . . . . 50.0 109.868 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.5 m -69.67 -43.07 73.3 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.34 6.51 7.02 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.112 1.893 . . . . 50.0 116.112 -170.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.08 -177.69 50.04 Favored Glycine 0 C--O 1.243 0.715 0 N-CA-C 116.775 1.47 . . . . 50.0 116.775 174.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.66 -9.39 23.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.329 2.019 . . . . 50.0 114.604 -178.483 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.61 -20.51 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.301 0.572 . . . . 50.0 110.437 178.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -95.96 -49.43 5.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.656 -0.702 . . . . 50.0 111.573 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.82 130.95 24.19 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 106.301 -1.74 . . . . 50.0 106.301 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.99 153.97 22.45 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 115.317 -2.655 . . . . 50.0 111.782 178.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.47 -20.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.769 -0.582 . . . . 50.0 110.659 176.22 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.91 -19.92 61.17 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.618 -0.676 . . . . 25.0 111.197 177.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.75 83.81 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.499 0.59 . . . . 25.0 109.659 179.311 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -71.0 -30.37 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.324 0.583 . . . . 50.0 111.073 178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -74.82 -42.37 58.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 -179.746 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.41 -44.0 95.89 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.944 -0.762 . . . . 50.0 108.944 175.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.66 -36.99 75.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.168 0.509 . . . . 50.0 111.306 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -70.66 -36.03 73.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 122.892 0.477 . . . . 50.0 110.812 -177.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.77 -36.58 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.947 -0.569 . . . . 50.0 110.398 -179.228 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.97 -28.4 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.678 -0.237 . . . . 25.0 110.565 178.039 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -57.15 -41.92 80.03 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.578 -0.701 . . . . 50.0 110.711 -179.532 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.93 -24.7 59.71 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 50.0 110.971 -177.535 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.7 -40.29 63.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.324 -0.235 . . . . 50.0 110.966 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.5 mt -73.87 -39.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.64 -35.55 74.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.748 0.308 . . . . 50.0 110.3 -177.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -113.22 32.57 5.65 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 178.377 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -63.78 -23.71 67.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.45 0.643 . . . . 50.0 110.048 175.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -61.91 -24.06 66.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.305 1.224 . . . . 50.0 114.305 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.91 11.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.094 0.473 . . . . 50.0 110.735 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -129.62 85.55 58.21 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 121.047 0.451 . . . . 50.0 110.972 -177.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.26 -24.35 43.96 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 N-CA-C 116.892 1.843 . . . . 50.0 116.892 -171.36 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.52 -35.08 79.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.759 0.709 . . . . 50.0 109.405 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.83 -30.61 6.91 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 120.042 -0.663 . . . . 50.0 109.747 178.938 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -62.82 -35.91 81.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 50.0 111.377 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.33 70.95 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.042 -0.411 . . . . 25.0 110.698 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.63 -34.56 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.887 -0.782 . . . . 25.0 108.887 179.275 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.95 -49.8 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.521 -0.918 . . . . 50.0 108.521 176.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.83 94.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 25.0 110.504 -178.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.3 -36.57 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.038 0.384 . . . . 50.0 112.038 178.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.5 m -61.76 -44.14 97.48 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 178.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -58.18 -38.76 77.32 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.364 0.505 . . . . 50.0 112.364 176.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.85 -45.38 86.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.477 0.656 . . . . 50.0 110.564 178.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.45 -32.88 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.87 -0.605 . . . . 50.0 110.134 -177.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -31.66 71.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 178.344 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp . . . . . 0 N--CA 1.469 0.525 0 O-C-N 122.052 -0.405 . . . . 50.0 111.726 177.106 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.219 0 N-CA-C 111.289 -0.724 . . . . 50.0 111.289 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.74 -39.87 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.752 -0.263 . . . . 50.0 110.57 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -71.2 -38.32 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.251 0.548 . . . . 50.0 111.331 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.27 -41.23 96.59 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.747 -0.595 . . . . 50.0 109.68 177.608 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 -8.79 56.27 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 174.814 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -98.59 -24.03 15.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.152 0.977 . . . . 50.0 108.891 -178.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -85.24 92.34 8.39 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.568 179.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -53.51 -28.6 31.96 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -178.634 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -57.66 -32.6 67.47 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.779 -0.576 . . . . 50.0 111.47 175.258 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -87.88 -40.86 13.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.225 0.61 . . . . 50.0 109.891 179.056 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.02 -36.69 63.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-N 115.679 -0.691 . . . . 50.0 109.781 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.82 -50.0 69.65 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.774 0.716 . . . . 50.0 112.722 178.312 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -64.37 -40.37 95.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.161 0.981 . . . . 50.0 109.166 178.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -23.58 63.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.422 -0.808 . . . . 50.0 113.027 -176.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -61.19 -40.27 93.3 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.217 -1.401 . . . . 50.0 107.217 178.247 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.31 -41.55 21.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 50.0 110.909 177.253 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.83 91.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.221 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.51 -39.6 91.55 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.223 -0.658 . . . . 50.0 109.223 177.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -29.67 26.67 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.401 1.26 . . . . 50.0 114.401 -175.548 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t -69.71 -18.06 63.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.632 0.651 . . . . 25.0 110.477 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.89 -14.68 59.86 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.929 -0.482 . . . . 50.0 110.389 174.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.11 -20.6 9.68 Favored Glycine 0 CA--C 1.517 0.2 0 CA-C-O 121.333 0.407 . . . . 50.0 113.567 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 t -76.02 124.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.014 -0.736 . . . . 50.0 109.014 -177.142 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -83.77 84.34 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.952 -0.467 . . . . 50.0 110.395 -176.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.3 153.03 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.176 0.513 . . . . 50.0 109.879 178.367 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.06 141.48 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.09 -1.819 . . . . 50.0 106.09 175.091 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -51.58 61.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -178.28 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.48 81.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -177.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.41 -34.15 58.82 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.913 -0.315 . . . . 50.0 110.346 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.85 -53.7 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.158 0.504 . . . . 50.0 110.254 -179.386 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.97 -20.91 66.36 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.537 0.569 . . . . 50.0 112.537 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -63.56 -28.53 70.0 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.395 -0.922 . . . . 50.0 110.169 175.508 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.28 -23.8 43.35 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.217 -0.927 . . . . 50.0 112.007 175.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.95 -36.9 78.47 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 106.171 -1.789 . . . . 50.0 106.171 172.075 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.71 -32.55 73.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.774 -1.103 . . . . 50.0 110.41 179.233 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.02 -37.89 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.113 -0.494 . . . . 50.0 111.558 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -29.12 45.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 119.787 -0.765 . . . . 50.0 109.998 179.58 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.33 -37.15 86.48 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.114 -177.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.1 -52.75 25.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.497 -0.774 . . . . 50.0 111.679 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -74.01 -29.26 61.85 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.27 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -124.01 75.14 58.19 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 50.0 111.26 -177.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.22 -17.07 40.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.043 -0.838 . . . . 50.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.48 -13.18 59.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 50.0 112.626 176.592 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -69.0 -54.36 12.35 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 121.311 -0.868 . . . . 50.0 111.573 177.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.18 -17.16 35.83 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 113.665 -3.757 . . . . 50.0 113.306 177.141 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.05 -33.61 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.386 0.274 . . . . 50.0 111.62 178.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.86 -21.99 61.59 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.989 -0.444 . . . . 50.0 110.868 177.496 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.4 20.3 36.67 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.149 0.82 . . . . 50.0 115.149 177.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -130.73 132.77 45.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.673 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mm -105.63 112.69 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 122.921 1.343 . . . . 50.0 109.967 179.568 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -149.74 161.04 43.0 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.872 -1.513 . . . . 50.0 107.197 174.336 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -67.08 -28.92 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.418 -0.355 . . . . 50.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 90.5 mttt -67.17 -34.94 78.6 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.903 -0.498 . . . . 50.0 109.889 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -70.38 -38.13 74.67 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.749 -0.834 . . . . 50.0 108.749 175.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -66.88 -27.53 67.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.867 0.691 . . . . 50.0 112.867 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 27.5 mmt180 -57.91 -47.36 83.05 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.65 -30.57 63.48 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -178.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.22 -41.07 88.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.703 . . . . 50.0 109.911 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -33.93 43.85 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.351 -0.928 . . . . 50.0 110.832 -179.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.93 -38.78 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.37 -44.51 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.812 -0.631 . . . . 50.0 111.658 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.18 -37.58 87.8 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 179.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.08 -41.55 86.17 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.304 -0.158 . . . . 50.0 111.01 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.53 -47.07 83.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.699 0.762 . . . . 50.0 109.095 -178.709 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -37.35 87.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.9 -0.591 . . . . 50.0 110.108 178.712 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.59 -37.03 84.05 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 122.185 -0.322 . . . . 50.0 111.517 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -34.44 63.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.472 -0.767 . . . . 50.0 109.755 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.7 m -67.84 -43.03 80.49 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.27 2.27 6.38 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 117.284 2.327 . . . . 50.0 117.284 -171.884 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.64 178.35 52.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.194 1.638 . . . . 50.0 117.194 174.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.38 -15.18 31.29 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.646 2.23 . . . . 50.0 113.862 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.64 -14.46 61.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.589 0.709 . . . . 50.0 109.738 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.03 -44.58 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.517 -0.765 . . . . 50.0 112.088 -178.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.72 130.88 23.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 107.444 -1.317 . . . . 50.0 107.444 178.204 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.19 149.49 19.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 115.219 -2.72 . . . . 50.0 112.722 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.58 -19.75 26.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 121.826 -0.546 . . . . 50.0 110.862 176.327 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.68 -19.03 61.49 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.605 -0.685 . . . . 25.0 111.221 177.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -37.64 88.09 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -71.6 -33.06 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.293 0.568 . . . . 50.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -69.05 -45.89 69.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.297 -0.631 . . . . 50.0 109.297 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.72 -41.62 98.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 50.0 109.885 176.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.11 -40.17 80.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.541 -0.3 . . . . 50.0 111.077 179.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.06 -29.32 70.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 -179.399 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.01 -41.26 97.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.53 0.681 . . . . 50.0 109.85 179.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.69 -29.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 179.277 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.78 -52.61 64.36 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.97 -0.381 . . . . 50.0 109.97 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -67.35 -22.42 65.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.406 . . . . 50.0 112.095 -178.331 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.0 tp -79.77 -42.52 24.32 Favored 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 122.879 0.472 . . . . 50.0 111.445 -177.053 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.02 -34.91 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.623 -0.88 . . . . 50.0 108.623 176.287 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.61 -28.86 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.998 0.519 . . . . 50.0 110.968 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -122.84 32.67 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.11 0.481 . . . . 50.0 112.283 -179.084 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -63.15 -24.87 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.139 0.422 . . . . 50.0 112.139 179.693 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.3 -26.51 67.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -109.2 10.61 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.663 0.744 . . . . 50.0 109.835 177.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.1 81.51 62.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.261 -0.644 . . . . 50.0 109.261 178.691 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -65.75 -17.71 56.88 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.325 -1.316 . . . . 50.0 113.722 -178.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -63.45 -44.3 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.01 -0.737 . . . . 50.0 109.01 177.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -84.84 -25.25 6.99 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.986 179.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -39.39 80.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.979 0.809 . . . . 50.0 110.716 179.838 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.24 79.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.329 175.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.79 59.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 122.314 -0.241 . . . . 25.0 110.701 -178.439 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.02 -48.77 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 107.589 -1.263 . . . . 50.0 107.589 177.257 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.18 88.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.953 179.483 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.8 -38.52 90.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.039 -0.413 . . . . 50.0 111.393 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.1 m -63.64 -44.62 93.33 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.595 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.08 -46.67 85.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.697 -0.401 . . . . 50.0 111.441 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -64.07 -37.46 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 50.0 111.679 -178.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -70.32 -38.66 75.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.486 -0.561 . . . . 50.0 109.486 178.569 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.344 -0.222 . . . . 50.0 110.881 177.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.5 mttt . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.224 0.535 . . . . 50.0 110.44 177.847 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 0 CA-C-O 120.237 -0.202 . . . . 50.0 112.828 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -64.62 -36.89 85.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.374 0.587 . . . . 50.0 110.826 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.93 -28.12 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.295 0.569 . . . . 50.0 110.425 178.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.02 -38.87 92.3 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.881 -0.512 . . . . 50.0 110.575 175.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -8.48 45.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 172.82 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -94.76 -17.4 22.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.141 -0.688 . . . . 50.0 109.141 178.093 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.88 101.28 13.23 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 122.091 -0.381 . . . . 50.0 110.032 -179.51 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.86 -36.99 63.21 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 115.486 1.661 . . . . 50.0 115.486 -173.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -63.95 -37.33 87.02 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.939 0.791 . . . . 50.0 111.279 178.277 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -71.53 -43.6 66.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.751 0.786 . . . . 50.0 108.965 179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.69 -40.93 78.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 CA-C-N 114.847 -1.069 . . . . 50.0 109.748 176.729 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.23 -48.18 79.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.091 0.859 . . . . 50.0 112.229 179.178 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.65 -40.19 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 50.0 109.948 178.143 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -71.45 -24.12 61.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.419 0.896 . . . . 50.0 113.419 179.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -60.52 -41.83 95.21 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.626 -1.62 . . . . 50.0 106.626 175.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -74.84 -41.57 59.62 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.89 -0.596 . . . . 50.0 110.825 178.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.77 79.03 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -176.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.51 -37.73 88.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.549 -1.278 . . . . 50.0 107.549 177.135 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -63.64 -45.79 88.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.841 -0.618 . . . . 50.0 112.292 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 p -68.77 -20.8 64.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.246 0.476 . . . . 25.0 111.77 -178.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -74.4 -20.73 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 177.364 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.45 79.32 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 121.125 -0.559 . . . . 50.0 113.55 175.106 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -120.91 138.82 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.709 0.766 . . . . 50.0 110.441 -175.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -85.35 84.29 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.09 -0.505 . . . . 50.0 110.213 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.5 t -114.85 134.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.815 -1.55 . . . . 50.0 106.815 177.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -64.36 135.69 56.41 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.093 -1.817 . . . . 50.0 106.093 177.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -47.26 68.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 -178.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.27 70.55 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.86 179.068 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.92 -31.56 51.17 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 110.195 -0.298 . . . . 50.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.22 -52.55 32.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 176.229 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -20.05 66.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.973 1.101 . . . . 50.0 113.973 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.75 -40.04 72.0 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 173.44 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -77.02 -24.28 52.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.103 0.409 . . . . 50.0 112.103 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.8 -21.8 61.66 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.118 -0.697 . . . . 50.0 109.118 172.203 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.0 -38.46 25.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 176.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.0 -31.97 73.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.864 1.061 . . . . 50.0 113.864 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.871 -0.732 . . . . 50.0 109.478 177.289 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -64.51 -36.89 85.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.56 -0.712 . . . . 50.0 111.297 179.541 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.97 -35.63 81.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.152 0.501 . . . . 50.0 111.768 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -91.51 -25.68 19.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.758 0.789 . . . . 25.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.9 m -131.5 82.24 62.22 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 123.381 0.672 . . . . 50.0 110.747 -178.173 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.6 -21.42 34.26 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 117.789 -1.007 . . . . 50.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -18.44 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.494 -0.775 . . . . 50.0 113.016 178.169 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.79 -54.39 47.78 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 121.681 -0.637 . . . . 50.0 111.384 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.41 -15.96 22.05 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 113.953 -3.564 . . . . 50.0 114.29 176.44 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.08 -47.98 72.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.606 -0.516 . . . . 50.0 109.606 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.53 -37.03 60.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 175.124 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 69.65 10.43 63.86 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-N 115.234 -0.894 . . . . 50.0 114.854 176.446 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.457 ' HB ' HH11 ' A' ' 55' ' ' ARG . 22.8 m -82.73 116.25 22.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.749 0.775 . . . . 25.0 109.04 179.365 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -112.65 99.17 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 123.357 1.551 . . . . 50.0 111.116 -176.121 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.49 166.41 29.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 104.261 -2.496 . . . . 50.0 104.261 175.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tp -61.38 -28.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.538 0.209 . . . . 50.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -59.14 -38.92 80.84 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.787 -0.571 . . . . 50.0 111.027 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.457 HH11 ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -85.36 -38.22 19.0 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 120.466 0.174 . . . . 50.0 111.215 177.185 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -63.06 -30.55 71.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.832 0.308 . . . . 50.0 111.832 -178.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -60.97 -39.88 91.26 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.942 -0.474 . . . . 50.0 111.338 174.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.98 67.87 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.681 0.622 . . . . 50.0 112.681 177.197 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.88 -38.51 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 176.209 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.824 -0.91 . . . . 50.0 110.824 178.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -59.88 -42.73 94.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 175.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.73 96.53 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.5 -0.773 . . . . 50.0 112.172 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -63.83 -37.96 89.34 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.019 -0.672 . . . . 50.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.48 -50.89 69.62 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.492 -0.558 . . . . 50.0 109.492 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.9 -37.66 79.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.05 -34.84 75.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.708 -0.479 . . . . 50.0 109.708 178.136 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.94 -38.93 92.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.637 -0.505 . . . . 50.0 109.637 176.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.18 -29.76 68.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.843 0.354 . . . . 50.0 111.115 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 m -83.06 -41.21 18.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.3 0.852 . . . . 25.0 113.3 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -117.51 -0.88 11.8 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.739 1.755 . . . . 50.0 115.739 -171.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.41 175.82 43.72 Favored Glycine 0 C--O 1.249 1.085 0 N-CA-C 116.362 1.305 . . . . 50.0 116.362 176.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.01 -15.82 44.02 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.731 2.287 . . . . 50.0 115.401 -178.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.51 -26.94 61.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.068 -0.395 . . . . 50.0 111.163 178.087 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -95.38 -48.42 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.823 -0.351 . . . . 50.0 110.426 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.6 t -108.0 130.93 22.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 105.877 -1.897 . . . . 50.0 105.877 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.74 156.0 10.3 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 115.962 -2.225 . . . . 50.0 112.117 177.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.04 -21.51 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.688 -0.632 . . . . 50.0 110.841 176.217 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 t -74.35 -17.6 60.81 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.696 -0.627 . . . . 25.0 111.287 177.545 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.13 79.69 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.54 -32.05 69.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.228 0.537 . . . . 50.0 110.909 178.01 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -45.73 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.941 -0.763 . . . . 50.0 108.941 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -62.42 -43.97 97.55 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.768 -0.651 . . . . 50.0 109.512 176.219 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -57.19 -39.45 75.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.716 0.293 . . . . 50.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.91 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 50.0 110.774 -178.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -45.21 95.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.12 -0.326 . . . . 50.0 110.12 178.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.72 -32.3 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -58.42 -44.19 88.98 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.537 -0.727 . . . . 50.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.19 -27.34 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.089 -0.644 . . . . 50.0 110.576 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.55 -40.4 94.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.258 -0.275 . . . . 50.0 110.258 172.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.38 -40.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 121.261 -0.176 . . . . 50.0 110.915 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.27 -35.84 72.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 179.324 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.01 33.58 4.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -67.28 -21.11 65.71 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.34 -0.985 . . . . 50.0 108.34 171.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.576 0.954 . . . . 50.0 113.576 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -128.5 4.0 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.978 0.894 . . . . 50.0 111.271 -175.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.24 85.62 58.01 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.627 -0.715 . . . . 50.0 109.47 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.9 -18.16 57.02 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 116.948 -1.568 . . . . 50.0 113.773 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.06 -43.91 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.99 -29.69 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 CA-C-N 115.695 -0.684 . . . . 50.0 110.581 -178.163 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -62.43 -39.01 91.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.619 -0.511 . . . . 50.0 109.619 179.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.86 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.055 -0.403 . . . . 25.0 110.577 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.63 56.19 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 178.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.87 -50.35 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 178.144 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.63 93.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.34 -36.38 80.01 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.798 -0.361 . . . . 50.0 111.496 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 m -63.74 -44.02 94.73 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -179.523 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -62.03 -42.03 98.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.65 0.262 . . . . 50.0 110.769 179.504 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.67 -50.16 70.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.421 0.629 . . . . 50.0 111.255 178.9 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.61 -39.02 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 109.388 -0.597 . . . . 50.0 109.388 -176.433 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.21 -41.89 97.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.593 0.633 . . . . 50.0 111.972 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.7 mmtp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 121.798 -0.564 . . . . 50.0 112.095 178.03 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.468 ' H ' ' HA ' ' A' ' 36' ' ' ASP . . . . . . . . 0 C--O 1.225 -0.447 0 N-CA-C 115.391 0.916 . . . . 50.0 115.391 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -58.35 -42.04 86.02 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.048 0.924 . . . . 50.0 110.245 178.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.24 -34.56 63.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 50.0 109.825 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.61 -39.6 94.77 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.619 -0.676 . . . . 50.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -12.53 61.45 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.565 0.95 . . . . 50.0 113.565 174.254 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -99.94 -17.87 17.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.096 0.95 . . . . 50.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -84.23 80.29 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.866 -176.185 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -48.21 -30.28 4.54 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.657 2.095 . . . . 50.0 116.657 -174.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.85 -40.41 72.82 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.504 0.669 . . . . 50.0 111.491 174.104 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.95 -38.93 16.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.412 -0.813 . . . . 50.0 110.033 -178.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.2 -42.91 88.37 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-O 119.279 -0.391 . . . . 50.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.76 -42.65 84.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.934 0.788 . . . . 50.0 112.088 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -40.82 88.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 179.207 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.08 -23.4 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -59.88 -28.02 67.19 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.604 -0.888 . . . . 50.0 108.604 177.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -83.93 -50.39 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.784 -0.367 . . . . 50.0 111.59 170.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.1 81.23 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -175.03 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -38.35 77.44 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.121 0.486 . . . . 50.0 109.725 179.527 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.53 -34.44 65.23 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 112.702 0.63 . . . . 50.0 112.702 -179.111 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -66.63 -22.01 66.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -176.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -77.19 -19.76 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.72 -0.612 . . . . 50.0 109.564 176.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.33 78.96 Favored Glycine 0 C--O 1.238 0.374 0 CA-C-O 121.389 0.439 . . . . 50.0 113.402 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 t -93.48 122.18 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 -175.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.37 84.34 7.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.788 -0.642 . . . . 50.0 110.288 -174.145 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -105.45 140.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.644 -1.243 . . . . 50.0 107.644 179.38 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -68.29 133.42 48.75 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.008 -1.849 . . . . 50.0 106.008 175.283 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -50.29 57.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.331 1.234 . . . . 50.0 114.331 -177.879 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.33 70.71 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.7 -178.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -81.3 -28.42 34.62 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 116.723 -0.217 . . . . 50.0 111.249 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.88 -53.99 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.219 -0.992 . . . . 50.0 108.698 175.336 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.26 -19.95 65.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.02 0.748 . . . . 50.0 113.02 179.257 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.33 -39.95 67.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.329 0.585 . . . . 50.0 110.1 172.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -82.16 -23.79 35.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.845 -178.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.11 -22.74 64.88 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.969 -0.752 . . . . 50.0 108.969 171.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HA ' ' H ' ' A' ' 2' ' ' GLY . 7.3 t70 -78.02 -37.65 46.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.649 0.738 . . . . 50.0 109.748 178.391 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -65.93 -33.55 76.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.586 0.958 . . . . 50.0 113.586 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 119.787 -0.765 . . . . 50.0 110.123 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -37.17 84.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.853 -0.529 . . . . 50.0 110.152 179.419 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.9 -49.0 77.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -77.84 -28.91 50.27 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -118.5 84.73 24.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 121.906 -0.496 . . . . 50.0 111.909 -176.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.27 -16.99 39.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-O 121.324 0.468 . . . . 50.0 113.003 -179.39 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -13.06 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 177.221 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.59 -48.74 64.4 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.477 -0.765 . . . . 50.0 112.729 -178.465 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.51 -20.29 31.48 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 113.951 -3.566 . . . . 50.0 114.031 175.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -68.04 -39.7 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 176.901 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.95 -41.6 95.35 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.59 -1.263 . . . . 50.0 107.59 175.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.45 31.96 71.66 Favored Glycine 0 C--O 1.219 -0.798 0 CA-C-N 115.821 -0.627 . . . . 50.0 112.697 176.08 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -129.24 132.41 47.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.282 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.73 99.37 8.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 123.871 1.795 . . . . 50.0 107.92 177.507 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.51 157.42 43.26 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.31 -2.223 . . . . 50.0 105.819 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.76 -28.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 113.4 0.889 . . . . 50.0 113.4 -172.061 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 34.7 mmtp -68.21 -35.37 77.86 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 178.459 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -64.68 -42.33 95.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.194 -1.41 . . . . 50.0 107.194 177.222 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -67.16 -29.77 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.619 0.97 . . . . 50.0 113.619 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 26.2 mmt180 -58.72 -42.02 87.73 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.289 -0.634 . . . . 50.0 109.289 177.531 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -61.94 -30.88 71.21 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.826 -0.624 . . . . 50.0 112.211 -178.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -68.51 -40.1 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.32 0.581 . . . . 50.0 110.109 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.06 78.22 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.587 -1.005 . . . . 50.0 110.587 -179.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.62 -37.98 85.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.75 0.786 . . . . 25.0 109.511 177.399 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -43.29 96.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 50.0 111.043 176.751 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -64.62 -34.08 77.44 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.916 -0.49 . . . . 50.0 110.205 178.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -64.45 -44.48 90.96 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.034 -0.358 . . . . 50.0 110.034 -178.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.81 -43.92 71.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.694 0.759 . . . . 50.0 111.004 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -63.66 -30.17 71.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -69.92 -46.02 66.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 174.849 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.93 -23.25 65.95 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.378 0.51 . . . . 50.0 112.378 -177.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 m -58.12 -44.02 87.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 -22.67 3.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.943 2.201 . . . . 50.0 116.943 -177.406 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.73 -170.33 16.0 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 111.022 -0.831 . . . . 50.0 111.022 -170.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.46 -7.42 20.91 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 116.713 1.774 . . . . 50.0 116.713 -174.163 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.56 -25.85 59.56 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 121.631 -0.668 . . . . 50.0 110.945 176.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.44 -48.62 9.44 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 120.789 -0.364 . . . . 50.0 110.044 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -124.36 130.77 24.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.94 153.51 29.13 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 115.492 -2.538 . . . . 50.0 111.791 177.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.06 -20.9 28.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.74 -0.6 . . . . 50.0 110.844 176.555 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -72.2 -18.08 61.88 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.657 -0.652 . . . . 25.0 111.067 177.405 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.07 79.43 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 120.206 -0.598 . . . . 25.0 109.974 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.81 -30.76 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.125 0.488 . . . . 50.0 111.115 178.417 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -70.57 -44.5 67.24 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 177.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.16 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.001 176.327 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -57.79 -39.07 76.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.323 . . . . 50.0 111.041 179.196 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.16 -25.79 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.75 -40.26 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.395 0.617 . . . . 50.0 109.529 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.62 -29.33 18.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -58.18 -52.67 64.59 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.289 -0.414 . . . . 50.0 109.947 178.042 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.44 -28.97 67.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.519 -0.472 . . . . 50.0 111.33 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -49.91 75.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.294 -0.254 . . . . 50.0 111.212 175.004 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.9 mt -76.42 -38.04 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 120.814 -0.355 . . . . 50.0 110.197 -177.278 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.09 -28.15 66.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.152 -0.314 . . . . 50.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.88 29.14 7.7 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.335 0.865 . . . . 50.0 113.335 179.081 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -64.45 -21.8 66.77 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.164 0.507 . . . . 50.0 111.0 177.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.3 -41.31 96.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.67 7.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.446 0.641 . . . . 50.0 110.893 -176.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -126.58 84.35 62.74 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 178.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -66.99 -22.79 47.59 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 117.263 -1.358 . . . . 50.0 113.787 -177.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -69.23 -25.28 64.23 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 176.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.1 t -83.64 -44.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 176.151 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.5 ttp -62.34 -28.22 69.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.1 0.407 . . . . 50.0 112.1 -176.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.6 80.76 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.65 -0.656 . . . . 25.0 110.993 174.002 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 -33.79 58.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.659 -0.496 . . . . 25.0 109.659 178.43 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.89 -51.93 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 179.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.2 92.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 25.0 111.422 -178.554 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.02 -37.32 86.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.111 -0.368 . . . . 50.0 111.963 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.1 m -69.17 -36.03 76.93 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.791 -0.568 . . . . 25.0 110.194 -177.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.79 -38.39 81.74 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 122.085 -0.384 . . . . 50.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.51 -49.61 76.88 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.484 1.135 . . . . 50.0 109.11 176.17 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.9 -39.85 84.44 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 CA-C-N 114.145 -1.389 . . . . 50.0 110.848 -173.205 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.74 -38.26 81.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.938 0.718 . . . . 50.0 112.938 -177.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 C--N 1.326 -0.445 0 C-N-CA 120.587 -0.445 . . . . 50.0 111.735 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.426 0 N-CA-C 114.203 0.441 . . . . 50.0 114.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.5 -20.92 64.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.616 0.722 . . . . 50.0 109.184 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.79 -52.17 52.99 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.917 -1.038 . . . . 50.0 110.026 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.54 -37.71 87.5 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.323 0.49 . . . . 50.0 112.323 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -13.37 4.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.607 1.336 . . . . 50.0 114.607 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -97.78 -11.44 23.36 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.956 -0.465 . . . . 50.0 112.035 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 92.83 8.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -43.8 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.899 2.185 . . . . 50.0 116.899 -174.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -34.54 78.0 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.39 -0.818 . . . . 50.0 111.634 -176.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -75.44 -36.68 60.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 50.0 109.599 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.03 -38.23 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.022 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.93 -43.03 99.68 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.649 -0.657 . . . . 50.0 111.085 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.04 -37.57 75.62 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.753 -0.379 . . . . 50.0 110.747 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.69 -24.48 65.41 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.667 -0.646 . . . . 50.0 112.487 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -64.34 -34.57 78.45 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.05 -48.86 50.36 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.97 99.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -41.38 97.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.985 -0.746 . . . . 50.0 108.985 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.82 -38.98 61.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.9 1.074 . . . . 50.0 113.9 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -64.4 -23.13 67.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -10.05 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.103 -0.373 . . . . 50.0 111.264 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.26 7.36 67.46 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.387 -0.435 . . . . 50.0 114.177 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.1 124.77 39.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.764 -1.199 . . . . 50.0 107.764 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.44 84.25 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 50.0 110.853 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -137.36 156.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.55 . . . . 50.0 109.941 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -89.09 162.61 15.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.027 -1.472 . . . . 50.0 107.027 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.26 -39.87 80.33 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.867 -0.521 . . . . 50.0 110.377 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.67 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.774 0.321 . . . . 25.0 110.331 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -73.39 -38.52 65.61 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.951 -0.568 . . . . 50.0 109.651 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -73.46 -53.63 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.298 0.57 . . . . 50.0 111.352 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.68 -19.98 65.34 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.134 -0.484 . . . . 50.0 112.079 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -52.31 -36.44 53.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.541 0.686 . . . . 50.0 110.825 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.41 -23.78 32.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.346 -0.388 . . . . 50.0 111.684 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -69.51 -30.18 67.97 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.731 -0.84 . . . . 50.0 108.731 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -69.47 -38.62 77.79 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.501 -0.926 . . . . 50.0 108.501 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.43 -38.94 92.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 50.0 112.531 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -65.93 -36.53 77.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 C-N-CA 119.805 -0.758 . . . . 50.0 109.875 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -66.08 -39.77 90.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.437 1.017 . . . . 50.0 110.972 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -74.55 -26.01 59.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.896 0.702 . . . . 50.0 112.896 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -96.99 -31.87 12.3 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.291 0.567 . . . . 25.0 112.144 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 80.2 m -123.52 78.18 54.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 C-N-CA 123.113 0.565 . . . . 50.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.47 -14.16 30.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 CA-C-O 121.6 0.584 . . . . 50.0 112.189 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -16.21 44.5 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.683 -0.69 . . . . 50.0 112.239 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.24 -49.12 74.65 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.5 -0.75 . . . . 50.0 111.887 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.49 -18.46 43.46 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 113.314 -3.991 . . . . 50.0 113.634 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -70.15 -33.37 71.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 50.0 110.749 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.2 -27.14 63.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.07 26.24 41.5 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-N 115.978 -0.555 . . . . 50.0 114.108 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -128.62 128.43 44.16 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -121.11 98.62 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 123.531 1.634 . . . . 50.0 109.657 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.19 163.87 31.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.444 -2.428 . . . . 50.0 104.444 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.53 -28.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.734 -0.387 . . . . 50.0 110.96 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.17 -31.09 72.15 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.79 -0.569 . . . . 50.0 110.595 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -83.99 -43.97 14.64 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.287 0.565 . . . . 50.0 109.769 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -64.63 -28.47 69.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.563 0.949 . . . . 50.0 113.563 -176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.13 -41.75 97.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.84 -0.537 . . . . 50.0 110.569 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -58.39 -27.93 64.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.958 1.096 . . . . 50.0 113.958 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.26 -39.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 50.0 109.396 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.97 -34.07 53.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.302 -0.952 . . . . 50.0 110.845 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.65 -39.29 90.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.38 -46.8 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 50.0 111.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.97 -37.21 78.94 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.425 -0.51 . . . . 50.0 110.192 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -67.66 -42.58 81.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 50.0 110.76 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.37 -49.98 74.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.879 0.847 . . . . 50.0 109.902 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -34.16 76.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.114 -0.948 . . . . 50.0 110.917 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -68.18 -40.65 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.631 -0.259 . . . . 50.0 111.037 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.307 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 m -77.2 -39.52 48.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.47 2.62 11.82 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.273 1.953 . . . . 50.0 116.273 -174.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.45 171.26 41.15 Favored Glycine 0 C--O 1.248 0.993 0 N-CA-C 117.464 1.746 . . . . 50.0 117.464 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.47 -17.64 38.8 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.775 2.317 . . . . 50.0 115.289 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -76.71 -18.75 58.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.977 -0.452 . . . . 50.0 110.226 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -99.08 -46.5 5.56 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.237 -0.282 . . . . 50.0 110.237 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.53 130.93 23.27 Favored Pre-proline 0 C--O 1.221 -0.433 0 N-CA-C 106.721 -1.585 . . . . 50.0 106.721 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.29 153.17 12.34 Favored 'Trans proline' 0 CA--C 1.518 -0.298 0 C-N-CA 115.286 -2.676 . . . . 50.0 112.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.27 -21.4 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.897 -0.502 . . . . 50.0 110.85 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -73.57 -17.68 61.16 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.637 -0.665 . . . . 25.0 111.248 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.73 84.4 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -72.05 -31.44 66.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.196 0.522 . . . . 50.0 111.036 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -70.64 -45.99 64.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.27 -43.16 98.73 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.512 -0.767 . . . . 50.0 109.714 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.97 -37.48 76.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.434 -0.348 . . . . 50.0 111.712 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -65.13 -34.4 78.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 50.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.44 -42.09 98.66 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.002 0.43 . . . . 50.0 110.471 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.71 -31.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.782 -0.767 . . . . 25.0 109.134 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.95 -45.19 91.08 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.565 -0.709 . . . . 50.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.61 -31.62 68.65 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.074 -0.651 . . . . 50.0 110.152 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.94 -41.75 95.24 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 111.653 0.242 . . . . 50.0 111.653 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.0 mt -79.39 -40.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.284 -0.566 . . . . 50.0 110.419 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.2 -34.49 73.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.659 -0.497 . . . . 50.0 109.659 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 32.96 5.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 50.0 111.767 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -66.34 -21.82 66.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.292 0.567 . . . . 50.0 109.697 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -62.83 -22.18 66.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.569 0.951 . . . . 50.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.93 9.67 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.423 0.63 . . . . 50.0 110.234 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.56 81.95 67.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.683 -0.488 . . . . 50.0 109.683 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -66.24 -19.33 56.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.764 -1.024 . . . . 50.0 113.857 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -62.55 -46.51 88.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.9 -29.41 6.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.428 0 C-N-CA 120.116 -0.634 . . . . 50.0 111.336 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -58.65 -41.24 85.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.841 0.746 . . . . 50.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.9 74.66 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.176 -0.61 . . . . 25.0 110.25 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.77 62.99 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.12 -46.03 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.59 -0.893 . . . . 50.0 108.59 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.26 88.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.683 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -38.52 83.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.503 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -68.7 -39.71 80.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.565 -0.709 . . . . 25.0 109.536 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.46 -41.06 98.49 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.319 -0.553 . . . . 50.0 110.796 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.89 -45.89 92.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 50.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.39 -38.89 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.093 -0.503 . . . . 50.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.92 -40.48 93.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.794 -0.566 . . . . 50.0 111.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -74.48 -26.13 59.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.381 -0.372 . . . . 50.0 111.705 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.4 t -83.18 -21.47 33.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.739 0.644 . . . . 50.0 112.739 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -104.24 -161.76 0.85 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.893 -0.594 . . . . 50.0 110.167 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.8 t -139.98 162.27 35.59 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.914 0.388 . . . . 50.0 110.002 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.66 -37.2 85.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.917 -0.772 . . . . 50.0 108.917 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.0 m -145.26 135.52 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -152.49 163.55 39.35 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 103.056 -2.942 . . . . 50.0 103.056 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.5 mt 59.21 166.4 0.06 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.501 1.667 . . . . 50.0 115.501 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -75.66 71.93 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.383 0.882 . . . . 50.0 113.383 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.323 -0.992 . . . . 25.0 108.323 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.8 19.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.802 1.241 . . . . 25.0 113.89 -175.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -137.33 117.98 13.97 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.752 -0.592 . . . . 25.0 111.623 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -134.92 170.93 15.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 102.708 -3.071 . . . . 25.0 102.708 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.9 m170 62.67 -167.66 0.21 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 101.058 -3.682 . . . . 25.0 101.058 174.19 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.405 0 N-CA-C 114.009 0.363 . . . . 50.0 114.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.01 -35.14 79.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.905 0.352 . . . . 50.0 111.836 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -78.37 -33.41 48.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.414 0.626 . . . . 50.0 111.541 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.83 -39.85 95.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.292 -0.413 . . . . 50.0 111.238 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -12.59 32.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.063 1.134 . . . . 50.0 114.063 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.36 -10.63 22.04 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.204 0.526 . . . . 50.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -90.52 89.23 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.07 -38.16 56.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 116.068 1.877 . . . . 50.0 116.068 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -62.88 -31.11 72.09 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.339 -0.851 . . . . 50.0 112.486 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -78.79 -38.26 38.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.76 -37.83 61.87 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.462 -0.569 . . . . 50.0 109.462 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.55 -45.78 92.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.278 0.844 . . . . 50.0 113.278 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.34 -41.28 73.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 50.0 110.169 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.26 -24.72 65.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 50.0 111.01 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -56.44 -44.22 80.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -75.5 -41.34 55.59 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.439 -0.8 . . . . 50.0 109.966 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.13 99.47 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.784 -0.573 . . . . 25.0 112.148 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.97 -42.43 94.1 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -74.99 -39.5 61.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.17 1.174 . . . . 50.0 114.17 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -67.05 -26.46 66.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 117.785 0.266 . . . . 25.0 111.583 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.993 -0.283 . . . . 50.0 110.547 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 3.18 81.27 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-O 121.319 0.4 . . . . 50.0 113.21 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.48 125.84 41.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.384 -1.709 . . . . 50.0 106.384 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -83.23 84.4 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.0 0.429 . . . . 50.0 110.082 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.62 158.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.246 -1.39 . . . . 50.0 107.246 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -102.81 170.21 8.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 50.0 109.62 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.44 -37.6 78.54 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 110.188 -0.301 . . . . 50.0 110.188 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.57 84.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.41 . . . . 25.0 110.414 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -74.11 -43.2 58.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 50.0 109.872 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.99 -54.93 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.027 0.751 . . . . 50.0 113.027 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.15 -20.01 65.0 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.759 0.652 . . . . 50.0 112.759 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.49 -42.6 78.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.011 0.434 . . . . 50.0 110.238 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -77.07 -23.8 51.94 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.222 -0.299 . . . . 50.0 111.533 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.94 -21.87 63.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.92 -21.22 29.74 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.394 -0.816 . . . . 50.0 110.48 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -73.2 -38.34 66.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.31 -0.244 . . . . 50.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -35.11 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.931 -0.766 . . . . 50.0 108.931 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.135 -0.353 . . . . 50.0 110.533 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -48.08 28.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.292 0.479 . . . . 50.0 112.292 -177.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -71.31 -33.38 69.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.404 0.621 . . . . 25.0 111.703 -176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 65.1 m -121.9 78.76 40.89 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.039 -0.528 . . . . 50.0 109.749 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.42 -17.13 39.28 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.427 0.511 . . . . 50.0 112.603 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -19.56 46.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.856 -0.611 . . . . 50.0 112.516 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -64.74 -51.56 57.14 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.611 -0.681 . . . . 50.0 111.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.92 -17.49 32.25 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 113.803 -3.664 . . . . 50.0 113.745 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.76 -39.38 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.494 0.187 . . . . 50.0 110.923 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 -28.11 62.26 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.045 -0.724 . . . . 50.0 109.045 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.6 17.34 48.31 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.17 0.828 . . . . 50.0 115.17 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.7 m -114.18 136.01 53.41 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.6 mt -128.27 103.99 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.795 1.283 . . . . 50.0 110.849 -172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -147.9 162.25 39.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 104.167 -2.531 . . . . 50.0 104.167 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.53 -29.58 47.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.779 0.323 . . . . 50.0 110.643 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -62.13 -36.54 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 50.0 110.461 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -85.51 -38.51 18.47 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.366 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -62.44 -29.1 70.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.183 0.438 . . . . 50.0 112.183 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -59.3 -41.82 89.89 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 122.175 -0.328 . . . . 50.0 111.799 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -59.8 -25.33 64.86 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 113.714 1.005 . . . . 50.0 113.714 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.67 -40.29 79.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.526 0.679 . . . . 50.0 109.582 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.99 -36.66 64.62 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.062 -1.215 . . . . 50.0 110.062 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.12 -41.72 98.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -42.06 99.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 50.0 112.011 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.76 -38.31 90.55 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.049 -0.722 . . . . 50.0 109.049 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.22 -42.57 88.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.679 -0.237 . . . . 50.0 110.636 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.96 -46.5 89.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.362 0.601 . . . . 50.0 110.116 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.4 -39.23 91.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.323 0.583 . . . . 50.0 110.268 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -66.0 -38.08 87.56 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 112.221 0.452 . . . . 50.0 112.221 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -30.8 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.62 -0.832 . . . . 50.0 109.807 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.6 m -69.93 -43.09 72.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.497 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.78 6.39 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 117.549 2.426 . . . . 50.0 117.549 -170.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.48 -178.61 47.45 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 117.033 1.573 . . . . 50.0 117.033 174.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.44 -12.64 27.39 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.396 2.064 . . . . 50.0 114.386 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -72.71 -30.14 63.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.225 0.536 . . . . 50.0 109.902 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -97.99 -37.84 9.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 50.0 112.678 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.46 130.99 24.55 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 107.101 -1.444 . . . . 50.0 107.101 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.21 147.92 18.71 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 114.783 -3.011 . . . . 50.0 113.583 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.17 -21.39 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 121.835 -0.541 . . . . 50.0 111.443 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 t -70.36 -21.06 62.93 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.592 -0.693 . . . . 25.0 111.222 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.42 82.81 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.318 -0.553 . . . . 25.0 110.48 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -72.94 -30.68 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 110.873 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 t -70.23 -45.3 66.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.2 -44.6 94.89 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.758 -0.655 . . . . 50.0 109.497 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -56.91 -40.63 76.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.057 0.456 . . . . 50.0 111.645 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -66.22 -33.38 75.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 50.0 110.799 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -63.89 -47.29 81.22 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.769 -0.456 . . . . 50.0 109.769 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.76 -31.32 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.219 -0.926 . . . . 25.0 109.266 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.57 -42.65 88.49 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.815 -0.553 . . . . 50.0 110.606 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -27.85 60.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.878 0.763 . . . . 50.0 110.651 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.35 -45.93 85.68 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.56 -41.3 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.106 0.479 . . . . 50.0 111.108 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -115.6 29.61 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.154 0.428 . . . . 50.0 112.154 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -62.27 -25.36 67.8 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.201 0.524 . . . . 50.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -49.05 77.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.196 0.998 . . . . 50.0 113.225 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.06 6.73 6.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.181 -1.372 . . . . 50.0 112.413 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.93 85.79 50.51 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 110.096 -0.335 . . . . 50.0 110.096 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -66.9 -23.71 47.06 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 117.66 -1.094 . . . . 50.0 114.493 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -66.92 -28.2 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 50.0 109.369 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.8 -49.06 16.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 CA-C-N 115.983 -0.553 . . . . 50.0 109.968 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -39.74 75.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.622 0.601 . . . . 50.0 112.622 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.97 79.44 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 120.452 -0.499 . . . . 25.0 110.404 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.1 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.679 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.18 -49.55 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.178 -1.416 . . . . 50.0 107.178 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.39 94.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.815 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.77 -39.77 90.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.749 0.309 . . . . 50.0 111.415 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -68.85 -38.9 80.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.052 -0.659 . . . . 25.0 109.235 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.45 -42.05 95.35 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.342 -0.543 . . . . 50.0 111.119 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -59.04 -47.31 85.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.375 0.607 . . . . 50.0 110.353 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -38.49 82.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.848 -0.615 . . . . 50.0 110.568 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.11 -39.78 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.224 -0.298 . . . . 50.0 111.501 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.979 0.419 . . . . 50.0 110.176 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -68.59 -20.4 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.327 0.491 . . . . 50.0 112.327 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.721 0.637 . . . . 50.0 112.721 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m 47.11 50.21 14.33 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.763 1.764 . . . . 50.0 115.763 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -88.5 2.45 52.86 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.073 0.463 . . . . 50.0 111.25 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 140.22 58.75 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 51.09 -154.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 124.39 1.056 . . . . 50.0 111.43 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.4 mt 55.04 -138.37 1.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.265 0.839 . . . . 50.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 120' ' ' HIS . 1.7 tm-20 -140.44 177.45 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 103.454 -2.795 . . . . 50.0 103.454 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.606 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 1.2 t60 66.6 36.26 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.65 0.78 . . . . 25.0 111.822 172.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.41 2.24 0.43 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.703 1.742 . . . . 25.0 115.703 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -146.61 150.74 36.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t60 61.29 105.66 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.729 1.212 . . . . 25.0 111.348 -172.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -65.4 132.38 48.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 116.172 -1.87 . . . . 25.0 112.759 -179.02 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 N-CA-C 111.706 -0.558 . . . . 50.0 111.706 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.998 0.399 . . . . 50.0 110.991 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.44 -24.14 53.93 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.231 -0.587 . . . . 50.0 110.826 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.47 -0.769 . . . . 50.0 111.065 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -10.31 47.05 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -107.15 -15.82 14.57 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.507 0.67 . . . . 50.0 109.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -82.13 86.18 6.66 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 105.673 -1.973 . . . . 50.0 105.673 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.73 -35.02 55.18 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 114.969 1.47 . . . . 50.0 114.969 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.29 -37.48 83.37 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.531 0.605 . . . . 50.0 112.017 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -75.64 -36.48 60.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.587 -0.696 . . . . 50.0 109.269 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.8 t -59.04 -40.53 80.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 109.489 -0.56 . . . . 50.0 109.489 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.9 -45.58 89.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.263 0.483 . . . . 50.0 112.066 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.26 -39.78 95.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.362 -0.535 . . . . 50.0 109.579 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.01 -23.55 64.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.66 0.985 . . . . 50.0 113.66 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -58.15 -40.56 81.71 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 106.466 -1.679 . . . . 50.0 106.466 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.87 -39.25 20.12 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.396 -0.82 . . . . 50.0 111.617 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.99 83.79 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.41 -40.8 96.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.826 -1.175 . . . . 50.0 107.826 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.51 -45.05 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 50.0 113.013 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 p -69.22 -20.12 63.96 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.328 -0.232 . . . . 25.0 111.363 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -23.44 61.28 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 110.226 -0.287 . . . . 50.0 110.226 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 10.03 79.46 Favored Glycine 0 CA--C 1.516 0.105 0 CA-C-N 116.351 -0.386 . . . . 50.0 112.363 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.48 122.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.13 84.62 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.38 141.62 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -75.26 145.08 42.18 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 107.512 -1.292 . . . . 50.0 107.512 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -52.08 64.67 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.476 0.547 . . . . 50.0 112.476 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 25.0 111.297 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -84.68 -34.71 22.93 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 122.202 -0.311 . . . . 50.0 111.085 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.01 -51.8 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.302 -0.559 . . . . 50.0 110.449 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.01 -19.82 47.22 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.324 0.861 . . . . 50.0 113.324 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -53.57 -45.16 69.81 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.478 0.656 . . . . 50.0 109.616 171.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -75.53 -23.94 56.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.079 -0.51 . . . . 50.0 111.434 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.43 -23.85 62.8 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.99 -27.34 26.53 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.595 -0.691 . . . . 50.0 110.438 174.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -67.47 -33.85 75.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.834 0.679 . . . . 50.0 112.834 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -30.64 49.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.607 -0.683 . . . . 50.0 109.912 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -60.12 -38.2 82.29 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.154 -0.341 . . . . 50.0 111.598 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -64.01 -51.74 62.81 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.358 0.599 . . . . 50.0 111.321 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -81.88 -26.46 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.41 74.11 80.0 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 112.395 0.516 . . . . 50.0 112.395 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.22 -12.47 30.07 Favored 'Trans proline' 0 C--N 1.345 0.347 0 CA-C-O 121.919 0.716 . . . . 50.0 111.881 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -11.27 53.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 50.0 112.401 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.82 -50.33 64.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 O-C-N 121.728 -0.608 . . . . 50.0 111.723 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.46 -22.61 44.89 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 113.626 -3.783 . . . . 50.0 113.993 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.246 -0.283 . . . . 50.0 111.606 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -65.94 -29.92 70.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 50.0 110.668 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.99 29.11 73.31 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 114.509 0.564 . . . . 50.0 114.509 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -146.66 139.66 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -125.06 112.3 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.474 1.13 . . . . 50.0 110.178 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.59 161.28 42.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 106.226 -1.768 . . . . 50.0 106.226 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.18 -31.8 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.804 -0.18 . . . . 50.0 111.196 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -67.42 -31.44 71.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.979 -0.45 . . . . 50.0 110.701 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -80.42 -36.66 33.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -62.68 -25.76 68.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.716 0.636 . . . . 50.0 112.716 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -52.8 -47.24 67.74 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.952 -0.388 . . . . 50.0 109.952 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.42 -30.23 62.55 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.521 0.934 . . . . 50.0 113.521 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -39.32 81.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.358 0.599 . . . . 50.0 109.816 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.06 -35.7 53.11 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.448 -1.061 . . . . 50.0 110.448 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.95 -39.82 95.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -45.73 88.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.531 -0.759 . . . . 50.0 111.522 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.25 -33.27 74.28 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.615 -0.434 . . . . 50.0 109.996 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.97 -41.82 90.67 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.141 -0.224 . . . . 50.0 110.74 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.53 -33.29 60.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.677 0.751 . . . . 50.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.55 91.71 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -69.44 -38.85 78.01 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.107 -0.952 . . . . 50.0 110.851 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.953 -0.467 . . . . 50.0 110.754 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -71.75 -42.14 67.58 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.34 3.32 9.74 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.961 1.838 . . . . 50.0 115.961 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.43 -176.9 54.05 Favored Glycine 0 C--O 1.242 0.638 0 N-CA-C 115.428 0.931 . . . . 50.0 115.428 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.28 -9.38 24.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.744 2.296 . . . . 50.0 115.306 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -78.7 -32.07 46.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 50.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -88.18 -40.51 13.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.66 -0.245 . . . . 50.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.51 130.95 24.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.646 -1.612 . . . . 50.0 106.646 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.33 154.46 18.75 Favored 'Trans proline' 0 CA--C 1.519 -0.245 0 C-N-CA 115.571 -2.486 . . . . 50.0 112.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.08 -20.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.788 -0.57 . . . . 50.0 110.335 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -74.08 -17.28 60.98 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 121.724 -0.61 . . . . 25.0 111.151 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.13 81.66 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -71.28 -31.46 67.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.088 0.471 . . . . 50.0 111.387 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -71.84 -45.57 60.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.687 -0.857 . . . . 50.0 108.687 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -63.03 -42.03 99.68 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.563 -0.744 . . . . 50.0 109.542 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.8 -39.95 90.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.834 0.35 . . . . 50.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.37 -28.38 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 50.0 111.604 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.8 -46.01 83.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.5 -30.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.51 -48.04 83.19 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.739 -0.601 . . . . 50.0 110.149 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.41 -22.46 61.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.908 0.776 . . . . 50.0 110.771 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.5 tp -75.75 -42.59 50.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.039 0.535 . . . . 50.0 111.293 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.9 -37.77 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.61 -31.32 66.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.259 0.552 . . . . 50.0 111.622 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -108.29 21.21 17.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.097 0.777 . . . . 50.0 113.097 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.55 -23.0 66.75 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.224 0.453 . . . . 50.0 112.224 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.16 -31.61 72.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.002 0.742 . . . . 50.0 113.002 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -110.4 9.41 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.716 0.769 . . . . 50.0 109.955 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -124.96 80.43 63.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.58 -17.35 56.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 117.075 -1.483 . . . . 50.0 113.308 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.23 -43.11 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.014 -0.735 . . . . 50.0 109.014 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.78 -28.47 6.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 C-N-CA 119.883 -0.727 . . . . 50.0 111.364 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -36.95 81.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.427 -0.796 . . . . 50.0 110.53 -177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.68 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.145 0.498 . . . . 25.0 110.757 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.12 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.38 -49.66 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.51 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.465 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -39.45 93.56 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.618 -0.433 . . . . 50.0 111.821 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 m -69.98 -36.27 75.05 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.383 -0.927 . . . . 25.0 108.715 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -59.58 -38.53 81.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.147 0.431 . . . . 50.0 111.594 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.89 -44.2 97.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.918 0.866 . . . . 50.0 109.493 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.31 -31.72 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.427 -0.806 . . . . 50.0 109.65 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.56 -37.5 87.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.651 -0.656 . . . . 50.0 110.293 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.39 -26.37 66.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 120.743 -0.383 . . . . 50.0 110.508 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.8 t -79.7 -22.11 43.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.769 0.319 . . . . 50.0 111.094 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -33.89 19.59 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.99 0.424 . . . . 50.0 110.586 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -74.19 129.15 37.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.11 5.72 7.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.184 1.179 . . . . 50.0 114.184 -173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.06 38.19 0.21 Allowed 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -174.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.97 7.12 0.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 126.345 1.858 . . . . 50.0 114.781 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' A' ' 120' ' ' HIS . 3.5 pp -66.88 143.21 56.99 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.463 -0.773 . . . . 50.0 109.083 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 64.06 -18.38 0.07 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.97 1.841 . . . . 50.0 115.97 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 118' ' ' LEU . 73.2 t60 -64.36 -17.46 63.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.687 0.756 . . . . 25.0 110.581 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -150.14 166.36 30.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 104.929 -2.248 . . . . 25.0 104.929 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.68 153.97 34.34 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.336 0.516 . . . . 25.0 109.757 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -156.11 151.35 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 105.82 -1.919 . . . . 25.0 105.82 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.42 158.78 35.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.259 1.602 1 N-CA-C 100.145 -4.02 . . . . 25.0 100.145 166.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.431 0 N-CA-C 110.358 -1.097 . . . . 50.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -65.95 -35.98 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.51 -44.44 90.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 50.0 110.381 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -64.89 -40.75 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.242 -0.286 . . . . 50.0 111.261 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -61.17 -20.08 62.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.184 1.179 . . . . 50.0 114.184 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -99.68 -14.95 18.7 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.365 0.603 . . . . 50.0 110.794 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -84.74 90.63 7.77 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.755 -1.572 . . . . 50.0 106.755 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.82 -35.39 32.05 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 114.798 1.407 . . . . 50.0 114.798 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.85 -30.99 71.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.035 0.834 . . . . 50.0 113.019 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -70.56 -43.21 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.11 -35.47 68.92 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-N 114.93 -1.032 . . . . 50.0 110.025 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -54.69 -49.59 70.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.225 0.92 . . . . 50.0 111.603 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -68.45 -39.73 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.202 0.525 . . . . 50.0 110.449 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -23.82 64.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -62.01 -44.41 96.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.107 -1.442 . . . . 50.0 107.107 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -74.97 -35.04 62.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.664 -0.698 . . . . 50.0 110.595 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.12 79.39 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.37 -42.21 99.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.48 -48.44 75.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.57 -20.24 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.155 -0.341 . . . . 25.0 111.795 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -75.92 -22.74 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.102 -0.703 . . . . 50.0 109.102 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 16.73 79.03 Favored Glycine 0 N--CA 1.455 -0.083 0 N-CA-C 111.844 -0.502 . . . . 50.0 111.844 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.16 115.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.153 0.978 . . . . 50.0 109.302 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -81.69 84.28 6.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 50.0 108.994 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.12 150.05 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.781 -1.192 . . . . 50.0 107.781 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.73 142.45 46.32 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.301 -1.74 . . . . 50.0 106.301 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -48.06 79.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.37 0.507 . . . . 50.0 112.37 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.35 71.12 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.801 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -74.35 -41.24 61.38 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 110.281 -0.266 . . . . 50.0 110.281 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -51.37 62.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.364 -0.934 . . . . 50.0 109.829 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.98 -19.99 64.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.374 0.879 . . . . 50.0 113.374 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -63.9 -32.08 73.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.372 -0.83 . . . . 50.0 110.255 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -78.03 -23.82 48.04 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.326 -0.859 . . . . 50.0 111.037 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.01 -21.91 62.23 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 107.74 -1.207 . . . . 50.0 107.74 171.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.91 -34.95 22.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.523 0.677 . . . . 50.0 110.874 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.15 -34.05 75.66 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -33.34 56.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 O-C-N 122.192 -0.317 . . . . 50.0 110.695 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -61.01 -34.32 74.64 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.983 0.734 . . . . 50.0 112.983 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.77 -51.15 20.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.952 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -64.58 -38.47 91.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.873 0.844 . . . . 25.0 110.827 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.71 80.95 40.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.406 -0.815 . . . . 50.0 110.077 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -69.75 -14.3 35.91 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 CA-C-O 121.728 0.637 . . . . 50.0 112.216 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.57 -15.39 37.54 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.78 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.89 -47.03 75.31 Favored Pre-proline 0 N--CA 1.471 0.598 0 N-CA-C 114.207 1.188 . . . . 50.0 114.207 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.18 -24.31 44.48 Favored 'Trans proline' 0 C--N 1.355 0.894 1 C-N-CA 112.807 -4.328 . . . . 50.0 113.369 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -15.53 62.34 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.111 0.412 . . . . 50.0 112.111 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.24 -24.57 64.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.61 17.6 20.72 Favored Glycine 0 C--O 1.223 -0.557 0 N-CA-C 115.601 1.0 . . . . 50.0 115.601 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.3 m -139.81 139.0 36.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -111.7 115.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.491 1.139 . . . . 50.0 108.931 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -152.16 156.72 40.37 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.286 -1.376 . . . . 50.0 107.286 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 tp -66.3 -29.61 47.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.814 -0.63 . . . . 50.0 111.589 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -66.03 -36.38 83.11 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.672 -0.642 . . . . 50.0 109.38 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -78.37 -37.31 44.49 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.369 -0.378 . . . . 50.0 110.434 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -66.59 -29.49 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 50.0 111.925 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.76 -40.06 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.805 -0.559 . . . . 50.0 110.855 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -54.96 -32.81 61.79 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.711 0.634 . . . . 50.0 112.711 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.06 -39.05 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.301 0.572 . . . . 50.0 109.993 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.9 -37.95 75.05 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.701 -0.96 . . . . 50.0 110.701 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -62.18 -40.16 95.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -41.0 94.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.376 -0.829 . . . . 50.0 112.363 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.65 -36.06 82.59 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.69 -43.15 94.45 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.6 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.865 0.84 . . . . 50.0 111.104 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -36.74 84.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.24 -0.891 . . . . 50.0 109.53 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.62 -41.71 71.88 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.98 -0.554 . . . . 50.0 110.869 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.42 -33.78 75.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.897 -0.502 . . . . 50.0 110.775 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.3 m -76.58 -40.74 48.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.35 2.41 10.8 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.918 1.822 . . . . 50.0 115.918 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.7 -176.23 53.86 Favored Glycine 0 C--O 1.244 0.74 0 N-CA-C 114.948 0.739 . . . . 50.0 114.948 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.86 -13.0 31.6 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.388 1.392 . . . . 50.0 113.697 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.277 0.561 . . . . 50.0 110.416 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -101.34 -35.23 9.3 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.013 0.745 . . . . 50.0 113.013 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.15 130.81 23.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -81.39 154.33 18.57 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.648 -2.435 . . . . 50.0 111.539 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.02 -20.46 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.608 -0.682 . . . . 50.0 110.784 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -73.71 -19.34 60.84 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.662 -0.649 . . . . 25.0 111.213 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.89 80.97 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.707 -0.62 . . . . 25.0 109.802 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.55 -30.73 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.559 . . . . 50.0 110.868 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -73.76 -45.16 53.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.738 -0.838 . . . . 50.0 108.738 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.12 -45.83 91.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.685 -0.689 . . . . 50.0 109.257 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.84 -40.46 80.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.822 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -63.63 -30.86 71.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.213 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.09 -43.3 82.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.373 0.606 . . . . 50.0 109.411 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.73 -29.99 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.704 -0.623 . . . . 25.0 109.664 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -58.92 -47.01 86.57 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.719 -0.474 . . . . 50.0 109.719 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.93 -27.87 62.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.96 -0.696 . . . . 50.0 110.982 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.03 -40.95 97.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.96 -0.462 . . . . 50.0 111.196 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.74 -40.72 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.538 -0.465 . . . . 50.0 109.844 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.75 -31.25 70.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.949 0.404 . . . . 50.0 110.693 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -116.09 31.94 6.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.73 -18.91 65.66 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.538 0.685 . . . . 50.0 109.811 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.79 -31.74 71.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.852 -1.067 . . . . 50.0 113.026 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.6 8.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.547 0.689 . . . . 50.0 110.225 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -125.93 82.83 63.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.878 -0.601 . . . . 50.0 109.83 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.49 -18.69 38.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.623 -1.118 . . . . 50.0 113.81 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -64.37 -44.75 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.57 -0.9 . . . . 50.0 108.57 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.86 -25.32 6.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.929 -0.578 . . . . 50.0 110.986 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -35.81 78.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.638 -0.664 . . . . 50.0 110.37 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.54 74.13 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 122.044 -0.41 . . . . 25.0 110.887 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.74 -31.66 52.25 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.058 -0.401 . . . . 25.0 109.994 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -47.3 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.824 -1.176 . . . . 50.0 107.824 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.32 83.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 25.0 110.94 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.67 -36.68 83.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 50.0 111.968 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -60.51 -45.0 95.42 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -58.75 -46.33 87.68 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.617 -0.433 . . . . 50.0 111.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -65.56 -36.73 84.64 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.575 -0.45 . . . . 50.0 111.838 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.9 mt -69.37 -37.71 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.18 -39.03 92.34 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.032 -0.417 . . . . 50.0 111.17 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -66.6 -28.44 68.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.944 0.402 . . . . 50.0 110.677 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 t -83.58 -23.15 32.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.469 0.544 . . . . 50.0 112.469 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.66 125.09 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 50.0 109.655 -175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 p -151.76 175.46 12.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.046 -1.094 . . . . 75.0 108.046 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 54.9 40.09 31.83 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.112 0.958 . . . . 50.0 110.016 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -149.66 121.65 8.23 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.42 110.12 4.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.932 -1.031 . . . . 50.0 108.571 -171.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.86 143.05 40.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.949 -1.13 . . . . 50.0 107.949 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.67 154.24 42.58 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.899 -1.148 . . . . 50.0 107.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -131.18 -49.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -159.72 141.28 12.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.82 139.13 58.69 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.92 152.37 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 -172.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -79.91 42.34 0.54 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.053 0.388 . . . . 25.0 111.459 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.7 m80 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 -160.822 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.163 0 N-CA-C 111.99 -0.444 . . . . 50.0 111.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -62.2 -35.55 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.453 0.168 . . . . 50.0 111.453 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -32.8 21.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.106 -0.371 . . . . 50.0 110.239 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.86 -38.45 90.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.762 -0.586 . . . . 50.0 110.654 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -58.53 -18.69 31.45 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.433 1.642 . . . . 50.0 115.433 173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.28 3.1 12.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.478 0.581 . . . . 50.0 110.939 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.2 76.73 9.85 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 104.077 -2.564 . . . . 50.0 104.077 171.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.74 -28.92 6.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.327 1.973 . . . . 50.0 116.327 -168.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -71.03 -34.07 70.92 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.543 -0.723 . . . . 50.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -73.14 -39.33 65.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.75 -37.07 63.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.532 -0.758 . . . . 50.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.25 -47.28 84.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.684 0.624 . . . . 50.0 112.684 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -70.69 -30.29 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.525 -0.735 . . . . 50.0 110.221 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.22 -23.5 62.94 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.089 -0.382 . . . . 50.0 111.556 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.63 -40.49 97.01 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.52 -46.8 68.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.052 -0.721 . . . . 50.0 109.052 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.87 97.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.387 0.884 . . . . 25.0 113.387 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.14 -40.09 96.56 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -67.99 -44.69 76.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -69.08 -20.86 64.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.657 0.984 . . . . 25.0 113.657 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.7 tpt85 -75.08 -17.73 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.215 -0.594 . . . . 50.0 109.402 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.49 8.51 86.94 Favored Glycine 0 C--O 1.227 -0.297 0 CA-C-N 116.272 -0.422 . . . . 50.0 113.059 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -111.51 119.65 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 50.0 108.307 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -80.71 84.77 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.325 -0.398 . . . . 50.0 110.412 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -101.17 141.34 17.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.8 137.04 55.07 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 105.937 -1.875 . . . . 50.0 105.937 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -47.04 74.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.676 0.621 . . . . 50.0 112.676 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.6 75.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.022 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.41 -36.76 71.45 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.776 -0.37 . . . . 50.0 111.344 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -53.03 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.072 -0.651 . . . . 50.0 110.515 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.82 -20.65 63.87 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.241 0.83 . . . . 50.0 113.241 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -60.81 -35.65 77.04 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.707 -0.621 . . . . 50.0 109.977 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -76.81 -23.9 52.81 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.526 -0.734 . . . . 50.0 111.294 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.54 -20.34 62.04 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.79 -36.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -66.9 -34.31 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -38.17 80.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.775 -0.824 . . . . 50.0 108.775 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -39.93 87.12 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.882 -0.511 . . . . 50.0 110.922 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.06 -42.55 99.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.237 0.541 . . . . 50.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 m -79.41 -35.04 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.402 0.62 . . . . 25.0 111.523 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.88 85.94 40.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 122.946 0.498 . . . . 50.0 111.097 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -70.28 -15.37 35.11 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 117.813 -0.991 . . . . 50.0 113.015 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.17 -14.16 44.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 50.0 112.377 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.77 -48.36 52.84 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.121 -0.987 . . . . 50.0 112.018 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.71 -22.69 31.97 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 114.245 -3.37 . . . . 50.0 113.343 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.13 -33.94 76.91 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.895 0.478 . . . . 50.0 111.342 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.04 -29.72 70.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 50.0 110.705 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.97 16.96 42.21 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.427 -0.351 . . . . 50.0 113.788 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -128.82 132.06 47.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -173.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.65 110.53 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 CA-C-O 122.857 1.313 . . . . 50.0 107.521 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.23 159.39 44.41 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.049 -1.432 . . . . 50.0 108.882 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.79 -32.37 56.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.653 -1.158 . . . . 50.0 111.789 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 48.1 mtmt -68.67 -36.89 79.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.868 -0.52 . . . . 50.0 109.684 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -73.44 -33.22 64.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.509 -0.923 . . . . 50.0 108.509 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -65.72 -29.96 70.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.594 -0.442 . . . . 50.0 111.345 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 23.4 mmt180 -58.44 -43.7 88.86 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -65.69 -24.97 67.12 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 113.961 1.097 . . . . 50.0 113.961 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.79 -37.02 78.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.037 -1.098 . . . . 50.0 108.037 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -37.25 67.33 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.279 -0.873 . . . . 50.0 111.137 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.31 -43.83 92.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -45.72 92.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.311 -0.859 . . . . 50.0 112.245 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.56 -38.11 89.89 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.927 -0.709 . . . . 50.0 109.499 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.9 -47.71 76.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.886 0.374 . . . . 50.0 110.332 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.79 -41.02 88.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.92 0.391 . . . . 50.0 110.283 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.14 -38.4 88.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.362 -0.607 . . . . 50.0 109.362 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.221 -0.299 . . . . 50.0 110.67 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -69.51 -32.64 71.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 50.0 110.795 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -78.88 -41.02 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.5 1.77 11.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.713 1.746 . . . . 50.0 115.713 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.55 177.2 46.29 Favored Glycine 0 C--O 1.242 0.641 0 N-CA-C 116.248 1.259 . . . . 50.0 116.248 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.73 -11.03 25.69 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.725 2.283 . . . . 50.0 114.46 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.53 -34.08 54.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.936 0.398 . . . . 50.0 110.177 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.99 -41.62 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.276 . . . . 50.0 111.035 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.0 t -114.82 130.85 23.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 107.214 -1.402 . . . . 50.0 107.214 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.73 153.38 15.19 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 115.485 -2.543 . . . . 50.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.33 -20.23 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.301 0.572 . . . . 50.0 110.332 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -73.4 -16.79 61.32 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 121.721 -0.612 . . . . 25.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.98 83.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.65 -32.41 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 50.0 111.158 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -70.09 -45.51 66.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.833 -0.803 . . . . 50.0 108.833 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.69 -40.85 97.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.647 -0.706 . . . . 50.0 110.336 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -58.91 -41.54 87.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 50.0 110.749 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -65.22 -28.68 69.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.814 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tt -65.35 -42.2 93.06 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 120.707 0.289 . . . . 50.0 110.264 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.55 -30.1 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 121.539 -0.725 . . . . 25.0 109.137 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -55.77 -50.79 69.47 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 116.423 -0.353 . . . . 50.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.82 -26.89 65.41 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.844 -0.342 . . . . 50.0 111.193 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.29 -36.68 69.02 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.622 -0.228 . . . . 50.0 111.35 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.15 -40.42 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.668 -0.864 . . . . 50.0 108.668 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.98 -37.07 73.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.075 0.464 . . . . 50.0 110.266 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -115.54 34.99 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 50.0 112.072 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -65.07 -21.26 66.79 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.037 0.446 . . . . 50.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.26 -34.67 76.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.67 6.85 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.61 0.719 . . . . 50.0 109.944 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -125.87 77.95 70.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.47 -21.62 53.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.229 -1.38 . . . . 50.0 114.26 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.91 -37.6 84.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.099 -0.376 . . . . 50.0 110.376 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.9 -27.83 6.65 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 119.858 -0.737 . . . . 50.0 110.094 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.13 -38.13 85.27 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.33 71.43 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.657 -0.652 . . . . 25.0 110.851 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.41 53.07 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 122.082 -0.386 . . . . 25.0 110.092 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.05 -53.1 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.433 -1.321 . . . . 50.0 107.433 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.68 98.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.078 0.466 . . . . 25.0 111.63 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.22 -45.56 91.07 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.142 -0.623 . . . . 50.0 110.89 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.7 m -59.35 -40.82 87.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.052 -0.351 . . . . 25.0 110.052 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.15 -53.35 59.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.619 0.229 . . . . 50.0 111.619 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.23 -29.48 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.25 -42.29 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.63 -37.76 87.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.353 0.872 . . . . 50.0 113.353 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -56.41 -44.41 80.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.113 0.482 . . . . 50.0 110.1 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -73.02 -41.6 64.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 50.0 111.507 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -66.91 -23.84 66.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.782 0.66 . . . . 50.0 112.782 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.6 m -68.27 0.49 3.76 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.313 1.227 . . . . 50.0 114.313 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.31 2.34 18.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.295 -0.411 . . . . 50.0 112.055 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 p -107.78 95.54 5.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.19 61.26 3.26 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.741 -1.118 . . . . 50.0 110.167 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.47 -16.82 12.81 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 116.358 1.984 . . . . 50.0 116.358 -172.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -88.91 105.17 17.58 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 114.723 -1.126 . . . . 50.0 111.857 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -133.46 88.28 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.32 0.581 . . . . 25.0 112.407 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 53.16 46.31 26.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 174.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.76 132.13 43.66 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 105.684 -1.969 . . . . 25.0 105.684 174.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -103.46 -8.74 19.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -175.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -150.62 165.68 32.61 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 103.697 -2.705 . . . . 25.0 103.697 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 116.669 -1.634 . . . . 25.0 106.675 177.065 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.486 0 N-CA-C 111.35 -0.7 . . . . 50.0 111.35 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.74 -37.61 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -82.58 -22.45 34.85 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.06 -0.656 . . . . 50.0 110.817 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.42 -35.64 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -19.11 65.72 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.957 0.725 . . . . 50.0 112.957 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.61 -17.08 20.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.48 0.657 . . . . 50.0 110.824 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -82.41 85.39 6.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.3 -30.96 19.79 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 116.76 2.133 . . . . 50.0 116.76 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.49 -28.77 59.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.623 -0.673 . . . . 50.0 111.685 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -75.15 -42.51 55.91 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.275 -1.38 . . . . 50.0 107.275 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.34 -36.14 57.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.083 -0.962 . . . . 50.0 110.476 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.03 -49.01 74.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.771 -0.581 . . . . 50.0 112.221 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.72 -37.94 67.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 50.0 110.847 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.37 -24.96 66.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -58.37 -44.13 88.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.324 -0.991 . . . . 50.0 108.324 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.94 -38.92 57.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 50.0 109.918 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.73 90.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.34 -42.89 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.096 0.474 . . . . 50.0 110.281 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.37 -45.42 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -70.88 -14.08 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.768 0.318 . . . . 25.0 111.536 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.57 -21.25 61.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 50.0 110.337 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.23 12.47 84.3 Favored Glycine 0 C--O 1.227 -0.294 0 CA-C-N 116.341 -0.39 . . . . 50.0 113.083 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.0 123.02 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -83.11 84.35 7.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 50.0 111.732 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 m -120.25 147.03 24.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 106.306 -1.738 . . . . 50.0 106.306 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -85.45 158.82 20.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.554 -1.647 . . . . 50.0 106.554 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -41.26 76.88 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.722 -0.217 . . . . 50.0 111.115 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.76 74.77 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.54 -45.09 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 50.0 109.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.48 -50.52 67.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 75.0 110.463 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -20.01 64.5 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -63.19 -34.7 78.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.656 -0.653 . . . . 50.0 110.074 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.74 -23.25 39.56 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.899 -0.5 . . . . 50.0 111.567 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.69 -18.5 62.16 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.35 -36.17 22.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.661 0.743 . . . . 50.0 109.064 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.32 -34.46 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.089 0.774 . . . . 50.0 113.089 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 C-N-CA 120.094 -0.642 . . . . 50.0 109.903 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -64.24 -38.82 92.39 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.822 -0.548 . . . . 50.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 -51.42 64.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.754 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -78.41 -27.53 46.68 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 m -121.33 80.07 36.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.04 -17.26 40.92 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 118.209 -0.728 . . . . 50.0 112.899 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -13.01 59.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.775 0.658 . . . . 50.0 112.775 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -67.41 -50.47 37.8 Favored Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.197 -0.94 . . . . 50.0 112.43 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.92 -21.31 37.69 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 113.897 -3.602 . . . . 50.0 113.289 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.21 -33.71 76.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.379 0.272 . . . . 50.0 111.188 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.57 -24.63 62.81 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.183 -0.323 . . . . 50.0 110.849 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 22.04 49.8 Favored Glycine 0 C--O 1.224 -0.488 0 N-CA-C 116.298 1.279 . . . . 50.0 116.298 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.521 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 17.1 m -133.13 133.47 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.635 0.718 . . . . 25.0 111.065 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.76 103.5 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-O 123.31 1.529 . . . . 50.0 109.474 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -153.09 162.72 40.98 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.308 -1.769 . . . . 50.0 108.765 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -64.4 -28.03 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.494 -0.321 . . . . 50.0 110.434 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -62.54 -33.5 75.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.689 -0.632 . . . . 50.0 111.17 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 3.6 mpt_? -85.29 -42.59 14.48 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.643 -0.502 . . . . 50.0 109.643 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -63.56 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.007 0.743 . . . . 50.0 113.007 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -59.86 -45.81 91.29 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.965 -0.459 . . . . 50.0 110.394 176.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -61.89 -25.63 67.67 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.013 0.746 . . . . 50.0 113.013 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.05 -41.8 87.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.453 0.644 . . . . 50.0 109.274 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.62 -35.13 55.84 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.311 -0.947 . . . . 50.0 110.936 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.27 -38.11 89.87 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.36 -43.92 96.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 50.0 111.615 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -63.17 -38.07 89.73 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.535 -0.913 . . . . 50.0 108.535 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -67.6 -41.1 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.175 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.09 -47.06 86.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.414 0.626 . . . . 50.0 109.812 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.89 -35.58 80.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.107 0.479 . . . . 50.0 111.035 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -68.19 -40.73 82.14 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 112.417 0.525 . . . . 50.0 112.417 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -31.62 70.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.174 -0.954 . . . . 50.0 110.492 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -63.95 -44.27 93.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -127.32 5.04 6.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.365 1.987 . . . . 50.0 116.365 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.9 -166.27 50.16 Favored Glycine 0 C--O 1.242 0.656 0 O-C-N 121.421 -0.799 . . . . 50.0 113.41 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.09 -5.65 17.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.806 1.67 . . . . 50.0 113.951 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -74.32 -16.91 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.982 0.42 . . . . 50.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.31 -41.26 7.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.28 130.91 23.11 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.537 -1.283 . . . . 50.0 107.537 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.52 144.63 50.53 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.015 -2.857 . . . . 50.0 111.936 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.99 -21.58 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 121.991 -0.443 . . . . 50.0 111.677 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -74.37 -19.85 60.29 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.602 -0.686 . . . . 25.0 111.351 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.29 78.87 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.729 -0.607 . . . . 25.0 109.874 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -71.14 -29.77 65.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.106 0.479 . . . . 50.0 111.537 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -73.02 -44.76 60.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.33 -44.58 96.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 50.0 109.227 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.62 -40.65 88.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.32 -27.93 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.991 0.367 . . . . 50.0 111.991 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.169 0.509 . . . . 50.0 110.182 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.86 -30.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.221 0.534 . . . . 25.0 109.807 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -52.88 -52.02 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.358 -0.383 . . . . 50.0 111.197 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.95 -28.46 65.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.132 -0.627 . . . . 50.0 111.528 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.04 -40.96 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.935 -0.306 . . . . 50.0 110.963 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.3 -40.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.616 -0.512 . . . . 50.0 109.616 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.64 -35.05 73.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.855 -0.424 . . . . 50.0 109.855 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -114.54 38.09 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -59.34 -25.61 64.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.215 0.531 . . . . 50.0 110.208 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.49 -29.87 69.34 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.177 1.177 . . . . 50.0 114.177 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.9 m -119.59 11.1 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.56 0.695 . . . . 50.0 110.172 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -122.84 77.77 49.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.36 -19.8 49.29 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 117.053 -1.498 . . . . 50.0 113.361 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.47 -42.65 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.218 -0.66 . . . . 50.0 109.218 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.01 -25.06 6.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 115.753 -0.658 . . . . 50.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.62 -38.9 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.994 -0.441 . . . . 50.0 110.511 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.27 72.39 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.478 -0.764 . . . . 25.0 110.981 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.75 -30.73 59.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.513 -0.312 . . . . 25.0 110.334 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.42 -50.01 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.082 -1.081 . . . . 50.0 108.082 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.65 88.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.995 0.426 . . . . 25.0 111.269 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.32 -39.63 95.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.554 -0.459 . . . . 50.0 111.357 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -65.89 -42.98 89.57 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -57.02 -44.44 82.87 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.698 -0.401 . . . . 50.0 111.798 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.89 -38.99 93.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.466 0.651 . . . . 50.0 111.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.24 -37.5 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.05 -40.64 96.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.923 -0.486 . . . . 50.0 110.654 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -58.38 -44.62 88.97 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.57 0.623 . . . . 50.0 109.845 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.2 t -65.45 -29.54 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.604 0.594 . . . . 50.0 112.604 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -113.7 34.35 4.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.388 0.614 . . . . 50.0 111.724 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -114.93 -177.66 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.54 21.3 5.56 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.136 0.975 . . . . 50.0 113.296 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.89 31.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.498 1.142 . . . . 25.0 110.832 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.83 42.65 0.64 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.833 -1.53 . . . . 50.0 110.848 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.72 135.16 48.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.529 . . . . 50.0 111.165 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -134.42 139.66 45.72 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.596 -0.89 . . . . 50.0 108.596 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -129.75 38.45 3.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.994 0.426 . . . . 25.0 111.575 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.93 108.48 1.8 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.99 0.424 . . . . 25.0 111.141 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -64.85 -23.39 67.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.236 0.541 . . . . 25.0 112.067 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -134.21 155.27 50.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.18 -2.526 . . . . 25.0 104.18 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -71.9 136.1 46.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 104.622 -2.362 . . . . 25.0 104.622 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.256 1.425 0 CA-C-O 117.156 -1.402 . . . . 25.0 108.944 -172.224 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.188 0 N-CA-C 111.281 -0.728 . . . . 50.0 111.281 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -69.37 -32.87 72.19 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.218 -0.577 . . . . 50.0 111.735 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.76 -26.64 25.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 120.466 -0.494 . . . . 50.0 110.491 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.49 -39.01 93.31 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.8 -0.563 . . . . 50.0 110.009 174.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -59.02 -19.33 42.76 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.694 1.368 . . . . 50.0 114.694 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.64 -13.92 23.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.822 0.283 . . . . 50.0 111.431 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -87.32 93.95 9.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.18 -30.96 62.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.255 1.206 . . . . 50.0 114.255 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -69.25 -37.66 78.05 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.802 -0.561 . . . . 50.0 111.591 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -69.78 -42.78 73.34 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.195 -1.039 . . . . 50.0 108.195 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -57.31 -34.99 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-N 115.205 -0.907 . . . . 50.0 110.932 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HG2' ' HZ3' ' A' ' 16' ' ' LYS . 73.5 mt-10 -54.67 -49.91 69.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.746 1.157 . . . . 50.0 112.687 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.22 -37.06 72.07 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.363 -0.535 . . . . 50.0 109.904 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.53 -28.72 69.84 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.935 0.717 . . . . 50.0 112.935 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HZ3' ' HG2' ' A' ' 13' ' ' GLU . 72.4 mttt -54.64 -45.29 73.75 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.311 -0.996 . . . . 50.0 108.311 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.94 -38.91 20.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.775 . . . . 50.0 111.735 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.15 80.49 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -38.3 82.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.337 0.589 . . . . 75.0 109.815 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -73.68 -28.94 62.01 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -63.19 -22.61 66.98 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.349 0.522 . . . . 25.0 112.151 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -16.75 34.27 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.103 0.409 . . . . 50.0 112.103 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.24 -1.3 50.2 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.609 -0.329 . . . . 50.0 113.357 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.2 t -80.27 118.58 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.944 -1.132 . . . . 50.0 107.944 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -83.55 84.3 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.984 -0.553 . . . . 50.0 111.575 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.12 154.57 37.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.897 -1.89 . . . . 50.0 105.897 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -87.45 164.18 16.32 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.987 -1.116 . . . . 50.0 107.987 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.33 -39.51 83.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.053 -0.721 . . . . 50.0 109.053 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.74 67.62 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.528 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -86.03 -45.87 11.04 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.93 -0.308 . . . . 50.0 110.252 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -50.83 28.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.948 0.721 . . . . 75.0 112.948 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.97 -24.82 67.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.214 -0.594 . . . . 50.0 112.072 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.35 -39.26 89.94 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.921 -0.487 . . . . 50.0 110.773 173.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.05 -23.85 43.99 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.721 -0.612 . . . . 50.0 111.933 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -66.3 -34.11 77.26 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.143 -0.688 . . . . 50.0 109.143 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -35.87 80.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.204 0.525 . . . . 50.0 109.902 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 50.0 112.719 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -28.42 36.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 119.664 -0.814 . . . . 50.0 109.657 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -69.72 -38.15 76.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.58 -0.896 . . . . 50.0 108.58 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.07 -49.57 64.66 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.036 -0.984 . . . . 50.0 111.197 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -70.11 -34.03 72.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.393 0.616 . . . . 25.0 112.235 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.18 79.62 72.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.425 -0.352 . . . . 50.0 111.693 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.66 -18.07 42.59 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.482 -0.545 . . . . 50.0 112.961 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -15.31 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.619 0.6 . . . . 50.0 112.619 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.92 -51.16 15.42 Favored Pre-proline 0 CA--C 1.541 0.616 0 O-C-N 121.476 -0.765 . . . . 50.0 112.436 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -69.62 -20.81 35.03 Favored 'Trans proline' 0 C--N 1.356 0.957 1 C-N-CA 113.091 -4.139 . . . . 50.0 112.954 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.42 -38.42 89.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.209 0.204 . . . . 50.0 111.359 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 55' ' ' ARG . 20.5 pt-20 -86.58 -26.02 24.68 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.831 -0.543 . . . . 50.0 110.366 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.5 29.75 54.29 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.64 1.416 . . . . 50.0 116.64 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -121.11 130.9 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.79 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 123.969 1.842 . . . . 50.0 109.805 -172.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -98.55 151.84 20.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 105.25 -2.13 . . . . 75.0 105.25 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.06 -29.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.26 -1.015 . . . . 50.0 108.26 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -67.55 -34.06 76.29 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.235 -0.291 . . . . 50.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' A' ' 48' ' ' GLU . 21.2 mtt85 -77.76 -35.27 51.88 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.09 -0.707 . . . . 50.0 109.09 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -61.65 -28.36 69.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.469 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -57.3 -45.32 84.26 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -63.47 -26.75 68.87 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 113.566 0.95 . . . . 50.0 113.566 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.61 -38.42 80.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.88 56.85 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.703 -0.68 . . . . 50.0 111.454 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.75 -39.4 91.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.55 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 50.0 111.682 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.8 -37.6 84.99 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.191 -0.604 . . . . 50.0 109.428 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -67.93 -42.54 80.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.643 0.238 . . . . 50.0 111.643 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.13 -48.99 79.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.071 0.938 . . . . 50.0 109.316 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.51 97.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.376 -0.829 . . . . 50.0 110.491 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.85 -44.18 77.77 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.348 0.87 . . . . 50.0 113.348 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.11 70.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.707 -0.621 . . . . 50.0 112.086 -172.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.7 m -66.13 -42.25 89.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -127.27 2.17 6.38 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.437 2.014 . . . . 50.0 116.437 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 -165.63 53.2 Favored Glycine 0 C--O 1.244 0.72 0 C-N-CA 120.585 -0.817 . . . . 50.0 114.853 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.63 -11.49 29.79 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 121.899 1.733 . . . . 50.0 115.473 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -75.89 -22.84 55.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 50.0 111.099 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -99.61 -42.33 6.94 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.81 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 106.471 -1.677 . . . . 50.0 106.471 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -76.11 150.07 33.08 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 114.45 -3.233 . . . . 50.0 112.763 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.35 -20.54 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.274 0.559 . . . . 50.0 110.795 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -74.34 -17.74 60.79 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.704 -0.623 . . . . 25.0 111.18 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.98 78.12 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 120.316 -0.554 . . . . 25.0 109.531 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -70.62 -30.8 67.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.509 . . . . 50.0 111.413 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -73.46 -43.42 60.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.18 -43.81 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 50.0 109.218 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -59.59 -39.11 83.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.556 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.17 -26.15 67.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.889 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.94 -45.88 76.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.282 -1.007 . . . . 50.0 108.282 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.42 -30.28 22.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.313 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -53.96 -52.38 60.88 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -71.57 -25.64 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.789 -0.765 . . . . 50.0 111.825 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.1 -42.43 89.3 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.093 -0.379 . . . . 50.0 111.703 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.2 mt -78.37 -40.72 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 109.261 -0.644 . . . . 50.0 109.261 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.96 -35.35 74.77 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.93 0.395 . . . . 50.0 110.367 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -113.98 34.2 4.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.863 0.32 . . . . 50.0 111.863 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -62.42 -23.2 66.73 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.409 0.623 . . . . 50.0 109.715 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.3 -29.38 69.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.197 1.184 . . . . 50.0 114.197 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.0 7.67 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.296 0.57 . . . . 50.0 110.632 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -125.82 77.86 69.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.318 -0.993 . . . . 50.0 108.318 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.7 -22.66 37.11 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.1 -1.467 . . . . 50.0 114.859 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.09 -39.63 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.207 0.527 . . . . 50.0 109.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.89 -25.69 6.89 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.03 -0.532 . . . . 50.0 109.657 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.19 -37.95 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 50.0 110.387 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.249 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.8 -32.07 59.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.73 -49.74 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.6 98.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.371 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -62.79 -36.78 84.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.78 -0.368 . . . . 50.0 111.961 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -67.37 -35.56 79.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.64 -43.4 98.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.982 -0.449 . . . . 50.0 110.444 175.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.9 -44.18 97.33 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.168 0.508 . . . . 50.0 110.973 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.84 -36.42 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.215 -0.448 . . . . 50.0 110.02 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.59 -38.18 83.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.904 -0.497 . . . . 50.0 111.634 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -68.06 -25.26 65.26 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.748 -0.595 . . . . 50.0 111.861 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -83.49 -12.2 56.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.567 0.58 . . . . 50.0 112.567 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.12 132.99 48.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -71.67 133.11 45.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.748 0.785 . . . . 50.0 112.833 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -90.12 78.9 6.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.829 -1.078 . . . . 50.0 110.098 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -156.29 155.76 32.86 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -102.07 -137.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.823 -1.177 . . . . 50.0 107.823 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.11 148.62 49.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.789 0.804 . . . . 50.0 110.723 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -144.24 145.71 32.21 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.688 -1.967 . . . . 50.0 105.688 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 49.21 38.21 12.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.968 0.907 . . . . 25.0 112.075 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 60.12 18.46 7.78 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.275 1.213 . . . . 25.0 114.275 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -69.11 110.11 4.36 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -136.99 35.18 2.59 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t60 60.94 -156.12 0.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 102.794 -3.039 . . . . 25.0 102.794 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.136 0 CA-C-O 120.465 -0.075 . . . . 50.0 112.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.91 -37.49 78.99 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -37.46 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.619 0.724 . . . . 50.0 109.918 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.45 -41.52 76.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.984 -0.448 . . . . 50.0 111.269 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -70.72 -12.12 61.36 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.504 0.928 . . . . 50.0 113.504 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.82 -24.36 19.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -83.83 88.82 7.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.456 0.646 . . . . 50.0 109.816 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.26 -38.37 12.31 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.638 2.088 . . . . 50.0 116.638 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -66.65 -28.26 68.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.497 -0.752 . . . . 50.0 112.577 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -76.23 -38.19 56.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.958 -0.756 . . . . 50.0 108.958 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -58.25 -36.05 56.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 108.47 -0.937 . . . . 50.0 108.47 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -55.81 -47.3 77.39 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.8 -39.31 66.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.278 0.561 . . . . 50.0 110.107 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.84 -23.57 65.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.787 0.662 . . . . 50.0 112.787 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -57.42 -44.04 84.29 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.591 -1.263 . . . . 50.0 107.591 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -69.26 -45.98 68.4 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.118 -0.946 . . . . 50.0 109.572 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.81 96.51 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -41.29 98.95 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.53 -43.04 70.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.301 0.852 . . . . 50.0 113.301 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 p -66.24 -27.34 67.89 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -71.11 -21.25 62.23 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.533 -0.467 . . . . 50.0 110.584 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.48 80.84 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 121.528 -0.368 . . . . 50.0 112.989 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -97.94 121.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 -176.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.81 84.38 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.641 . . . . 50.0 111.592 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.84 161.71 38.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.676 -1.231 . . . . 50.0 107.676 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.08 146.75 24.39 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.996 -1.112 . . . . 50.0 107.996 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.33 -49.51 43.84 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 112.074 0.398 . . . . 50.0 112.074 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.03 68.21 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.03 -22.99 26.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.888 0.329 . . . . 50.0 111.888 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -52.77 5.95 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.2 0.455 . . . . 50.0 110.631 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.02 -19.97 61.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.161 0.43 . . . . 50.0 112.161 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.13 -39.95 63.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.241 0.543 . . . . 50.0 110.628 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -82.06 -23.92 35.57 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.199 -0.313 . . . . 50.0 111.755 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.42 -20.85 62.06 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 174.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -35.56 21.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.795 -0.566 . . . . 50.0 110.242 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.7 -35.74 77.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.96 -31.85 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 122.029 -0.419 . . . . 50.0 110.986 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.81 -35.04 78.61 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.723 -0.611 . . . . 50.0 111.859 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.36 -52.22 29.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 50.0 110.914 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -70.19 -28.34 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.622 0.725 . . . . 25.0 112.408 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -132.16 78.68 68.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 50.0 111.431 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.22 -14.82 31.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-O 121.727 0.636 . . . . 50.0 112.362 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -16.95 48.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.639 . . . . 50.0 111.884 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.38 -51.67 59.0 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.004 -0.435 . . . . 50.0 111.883 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -71.58 -23.42 23.23 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 113.707 -3.729 . . . . 50.0 114.1 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -39.65 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.876 0.324 . . . . 50.0 111.876 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.506 ' CD ' HH12 ' A' ' 55' ' ' ARG . 40.8 mt-10 -77.5 -20.44 54.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.063 -0.718 . . . . 50.0 109.063 176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.29 27.95 58.44 Favored Glycine 0 C--O 1.227 -0.289 0 N-CA-C 116.397 1.319 . . . . 50.0 116.397 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -126.75 131.82 51.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.71 103.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.573 1.177 . . . . 50.0 110.006 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.91 164.16 33.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.314 -2.106 . . . . 50.0 105.314 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -65.75 -31.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 112.712 0.634 . . . . 50.0 112.712 -171.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -70.85 -25.27 62.75 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.781 -0.574 . . . . 50.0 109.974 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.506 HH12 ' CD ' ' A' ' 48' ' ' GLU . 58.9 mtt-85 -85.33 -37.93 19.37 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.659 0.266 . . . . 50.0 110.642 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -63.84 -36.34 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.676 0.621 . . . . 50.0 112.676 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -64.31 -34.48 78.23 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.189 -0.604 . . . . 50.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -60.05 -27.76 67.21 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.687 -0.688 . . . . 50.0 112.783 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.59 -36.75 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.15 -36.92 72.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.775 -0.93 . . . . 50.0 110.775 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.26 -40.68 97.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.796 -1.186 . . . . 25.0 107.796 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -43.42 95.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.659 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.19 -34.99 78.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.827 -0.434 . . . . 50.0 109.827 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.05 -45.14 93.65 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -73.14 -33.53 65.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.351 0.596 . . . . 50.0 111.417 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.07 -39.46 94.13 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.158 -1.052 . . . . 50.0 108.158 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.07 -41.06 78.06 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.136 -0.484 . . . . 50.0 110.963 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -59.44 -23.9 63.07 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.185 -0.322 . . . . 50.0 111.534 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.7 m -64.65 -55.96 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.4 12.02 6.95 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.47 2.026 . . . . 50.0 116.47 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.46 -151.05 37.54 Favored Glycine 0 C--O 1.243 0.685 0 C-N-CA 120.609 -0.805 . . . . 50.0 111.775 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.3 -11.57 32.38 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 118.607 1.204 . . . . 50.0 114.33 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.02 -22.03 62.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.0 110.516 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -95.22 -38.37 10.6 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.4 t -134.34 130.95 20.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 106.975 -1.491 . . . . 50.0 106.975 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.52 147.69 41.29 Favored 'Trans proline' 0 CA--C 1.517 -0.344 0 C-N-CA 114.136 -3.443 . . . . 50.0 110.755 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.58 -21.39 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.639 -0.663 . . . . 50.0 111.721 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -71.49 -23.58 61.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 121.512 -0.742 . . . . 25.0 111.186 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.72 81.37 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 119.982 -0.687 . . . . 25.0 110.421 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -69.65 -31.64 69.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.406 0.622 . . . . 50.0 110.944 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -72.29 -43.42 64.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -64.43 -39.41 93.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.075 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -61.06 -38.59 86.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.463 -0.335 . . . . 50.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 50.0 111.778 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.74 -44.47 77.47 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.13 -29.61 29.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.231 -0.988 . . . . 25.0 108.687 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -58.38 -50.97 71.78 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.57 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -67.86 -30.14 69.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 120.572 -0.451 . . . . 50.0 110.785 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.6 -41.17 76.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.55 -39.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.38 -29.59 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 50.0 111.065 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -117.65 33.28 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.407 0.521 . . . . 50.0 112.407 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.56 -21.76 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.239 0.543 . . . . 50.0 109.617 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.06 -29.01 70.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.63 0.974 . . . . 50.0 113.63 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.34 10.02 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.275 0.56 . . . . 50.0 111.116 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -125.01 86.12 57.05 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.773 -0.455 . . . . 50.0 109.773 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.12 -22.57 40.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 N-CA-C 114.92 1.085 . . . . 50.0 114.92 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -65.33 -47.4 76.63 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.21 -30.86 12.9 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 C-N-CA 119.281 -0.967 . . . . 50.0 110.178 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -57.64 -42.06 82.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.562 0.619 . . . . 50.0 110.791 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.4 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.517 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.59 58.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.99 -49.79 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 107.877 -1.157 . . . . 50.0 107.877 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.59 96.86 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.96 -36.43 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.075 0.398 . . . . 50.0 112.075 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -67.78 -39.73 84.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.08 -39.7 93.34 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.265 -0.272 . . . . 50.0 110.675 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.01 -47.39 74.63 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.005 0.431 . . . . 50.0 111.943 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.34 -34.8 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.975 -0.38 . . . . 50.0 109.975 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.2 -32.62 72.38 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -67.2 -34.76 78.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.094 0.406 . . . . 50.0 111.39 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -83.47 -57.65 3.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.714 0.635 . . . . 50.0 112.714 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.41 29.41 1.98 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.595 1.158 . . . . 50.0 112.919 -174.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.8 p -86.9 171.83 10.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.693 -1.595 . . . . 50.0 106.693 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 56.57 21.9 6.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.31 1.044 . . . . 50.0 112.875 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.33 144.52 37.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.693 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -156.52 161.25 40.01 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 103.821 -2.659 . . . . 50.0 103.821 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 mt -126.92 136.55 52.46 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.812 0.815 . . . . 50.0 112.971 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.52 143.92 51.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.047 -0.979 . . . . 50.0 108.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -127.46 -3.97 6.06 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -62.74 142.48 58.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -147.81 146.8 29.28 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -110.99 -25.89 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.708 0.29 . . . . 25.0 111.539 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 159.73 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 106.048 -1.834 . . . . 25.0 106.048 173.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 C--O 1.258 1.518 1 N-CA-C 97.428 -5.027 . . . . 25.0 97.428 169.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.559 0 N-CA-C 110.801 -0.92 . . . . 50.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -67.12 -24.34 65.92 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 122.533 -0.392 . . . . 50.0 111.81 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -85.5 -44.28 12.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.457 0.646 . . . . 50.0 111.606 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.79 -40.66 97.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.331 -0.395 . . . . 50.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -59.24 -21.45 59.58 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 116.157 1.91 . . . . 50.0 116.157 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -91.79 -19.66 22.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.017 0.826 . . . . 50.0 110.337 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.17 91.4 7.69 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.09 -32.14 63.88 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.583 0.957 . . . . 50.0 113.583 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.26 -37.27 69.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.514 0.673 . . . . 50.0 110.932 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -82.6 -43.16 17.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.563 -0.744 . . . . 50.0 110.145 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.35 -43.93 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.148 0.425 . . . . 50.0 112.148 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.21 -38.92 88.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.558 0.617 . . . . 50.0 111.088 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.23 71.93 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.248 -1.019 . . . . 50.0 108.248 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -23.44 66.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.458 0.54 . . . . 50.0 112.458 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.0 -30.29 70.85 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.054 -0.721 . . . . 50.0 109.054 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.5 -48.36 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.71 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -39.6 90.6 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.949 -0.469 . . . . 75.0 110.716 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -76.5 -38.09 55.78 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.3 p -67.53 -19.8 65.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -73.41 -18.53 61.14 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 120.271 -0.571 . . . . 50.0 110.439 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 -0.49 83.78 Favored Glycine 0 CA--C 1.517 0.188 0 CA-C-O 121.836 0.687 . . . . 50.0 112.405 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.27 132.6 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.293 -1.003 . . . . 50.0 108.293 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -82.48 84.48 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 50.0 108.713 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 146.73 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.527 0.68 . . . . 50.0 110.17 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -85.68 132.56 34.13 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.874 -1.528 . . . . 50.0 106.874 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -49.1 69.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.645 0.609 . . . . 50.0 112.645 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.42 76.0 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.961 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -75.09 -38.17 61.3 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 120.882 -0.327 . . . . 50.0 111.14 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -49.41 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.557 -0.857 . . . . 50.0 109.671 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.05 -34.17 69.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.471 -0.786 . . . . 50.0 112.678 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -26.41 68.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.502 -0.749 . . . . 50.0 112.732 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -76.23 -26.57 56.19 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.544 -0.722 . . . . 50.0 109.871 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -72.79 -28.7 62.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.47 -35.7 68.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.04 -30.35 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.842 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -60.93 -50.72 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.229 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -65.72 -40.54 92.3 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.466 -0.894 . . . . 50.0 111.424 -170.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -24.93 64.04 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 m -97.2 -34.07 11.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.361 0.6 . . . . 25.0 112.347 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -121.59 78.32 37.71 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 123.541 0.736 . . . . 50.0 110.072 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -70.66 -18.47 32.75 Favored 'Trans proline' 0 C--O 1.223 -0.257 0 C-N-CA 118.075 -0.816 . . . . 50.0 113.18 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -23.87 48.59 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.782 0.66 . . . . 50.0 112.782 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.32 -51.78 71.12 Favored Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 113.541 0.941 . . . . 50.0 113.541 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -68.88 -22.72 35.92 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 113.019 -4.188 . . . . 50.0 113.307 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -15.63 62.63 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.43 0.53 . . . . 50.0 112.43 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.27 -19.09 58.64 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.53 21.08 40.71 Favored Glycine 0 C--O 1.222 -0.597 0 N-CA-C 115.187 0.835 . . . . 50.0 115.187 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -134.26 132.62 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.562 0.681 . . . . 25.0 110.554 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -110.78 114.59 47.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 122.408 1.099 . . . . 50.0 109.126 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.37 162.57 39.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 106.988 -1.486 . . . . 50.0 106.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 -30.04 49.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 111.384 0.142 . . . . 50.0 111.384 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -70.77 -34.35 71.73 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.86 -0.525 . . . . 50.0 109.69 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.08 -39.86 65.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.784 -0.821 . . . . 50.0 108.784 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.15 -27.26 68.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 50.0 112.377 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -52.56 -50.13 63.55 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 120.98 0.419 . . . . 50.0 110.605 176.026 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.93 -28.85 54.2 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 114.556 -1.202 . . . . 50.0 113.419 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -71.12 -42.75 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 50.0 110.624 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -35.63 49.21 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.487 -1.045 . . . . 50.0 110.487 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.0 -39.42 94.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -50.02 73.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.826 -0.624 . . . . 50.0 110.958 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -59.79 -36.51 76.88 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.113 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.73 -48.11 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.384 0.142 . . . . 50.0 111.384 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -74.29 -29.95 61.87 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.03 -0.668 . . . . 50.0 111.289 -178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.53 -38.92 84.94 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.37 -0.377 . . . . 50.0 110.234 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -64.24 -32.5 74.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.995 -0.44 . . . . 50.0 110.597 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -82.87 -42.09 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -118.27 0.31 11.68 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.198 1.925 . . . . 50.0 116.198 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.8 -178.65 48.12 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 116.722 1.449 . . . . 50.0 116.722 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.48 -16.4 34.54 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.09 1.86 . . . . 50.0 113.75 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -70.76 -19.86 62.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 50.0 110.173 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -110.23 -33.33 6.68 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 113.396 0.887 . . . . 50.0 113.396 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.47 131.03 24.54 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.076 -1.453 . . . . 50.0 107.076 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.28 149.56 19.47 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 114.865 -2.957 . . . . 50.0 112.443 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.18 -20.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 50.0 110.783 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -72.5 -18.5 61.66 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.626 -0.671 . . . . 25.0 111.314 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.83 83.89 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.182 -0.607 . . . . 25.0 109.469 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.88 -32.87 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.247 0.546 . . . . 50.0 111.023 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -69.89 -45.64 67.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.925 -0.769 . . . . 50.0 108.925 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.22 -43.93 96.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.021 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -55.15 -39.49 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.863 0.363 . . . . 50.0 111.283 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.05 -34.89 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.275 -0.42 . . . . 50.0 111.577 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tt -63.82 -38.6 91.7 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.948 0.404 . . . . 50.0 110.465 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.16 -30.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 121.162 -0.962 . . . . 25.0 108.873 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -58.96 -44.41 91.47 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.569 -0.707 . . . . 50.0 110.21 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.34 -30.37 69.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.843 0.747 . . . . 50.0 110.371 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.0 -38.6 82.81 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.122 -0.231 . . . . 50.0 111.435 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.63 -41.75 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 50.0 109.696 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.89 -40.49 84.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.203 0.525 . . . . 50.0 109.695 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.88 38.79 2.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 112.601 0.593 . . . . 50.0 112.601 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -64.22 -18.14 64.23 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.228 0.537 . . . . 50.0 109.603 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.7 -32.16 72.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.153 0.797 . . . . 50.0 113.153 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.98 7.9 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.661 0.743 . . . . 50.0 110.188 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -123.17 79.48 52.18 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.13 -20.4 33.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 117.778 -1.015 . . . . 50.0 114.666 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -69.61 -42.03 74.93 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.921 -0.77 . . . . 50.0 108.921 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 m -78.1 -25.17 14.1 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 O-C-N 121.06 -1.025 . . . . 50.0 110.21 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -36.7 80.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.865 -0.42 . . . . 50.0 109.865 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.76 74.59 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.012 -0.43 . . . . 25.0 110.604 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.2 61.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 122.123 -0.361 . . . . 25.0 110.548 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.57 -48.4 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.543 -1.28 . . . . 50.0 107.543 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.61 78.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.025 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.36 -37.75 88.5 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.768 0.655 . . . . 50.0 112.768 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.9 m -64.07 -42.55 96.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -61.03 -42.62 98.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.415 -0.514 . . . . 50.0 112.13 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.11 -45.51 92.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.145 0.498 . . . . 50.0 109.984 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.11 -42.96 88.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 109.553 -0.536 . . . . 50.0 109.553 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.78 -40.88 96.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.286 0.494 . . . . 50.0 111.843 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -66.23 -33.15 75.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.079 0.466 . . . . 50.0 110.074 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -79.82 -16.91 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.344 0.498 . . . . 50.0 112.344 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -86.78 2.47 48.72 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.314 -0.403 . . . . 50.0 111.724 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 m -61.55 -8.68 4.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 118.831 2.9 . . . . 50.0 118.831 -171.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -140.23 3.57 1.97 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.685 0.755 . . . . 50.0 109.796 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.0 p -129.01 21.91 5.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.938 1.351 . . . . 25.0 110.72 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -80.97 3.23 23.66 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.27 -1.787 . . . . 50.0 111.407 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 mt -104.25 139.28 39.49 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.46 -0.791 . . . . 50.0 111.683 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -155.3 -48.92 0.08 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.52 151.76 40.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.489 -0.757 . . . . 25.0 111.938 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -75.37 79.47 2.44 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.214 -0.903 . . . . 25.0 110.718 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 68.44 168.65 0.27 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.435 1.494 . . . . 25.0 110.904 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.0 137.18 53.04 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.623 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 70.3 t60 52.64 -125.53 2.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.055 0.542 . . . . 25.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--O 1.252 1.202 0 N-CA-C 100.871 -3.751 . . . . 25.0 100.871 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 113.834 0.294 . . . . 50.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -63.63 -40.68 97.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.129 0.465 . . . . 50.0 110.003 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.84 -37.57 82.07 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 110.205 -0.294 . . . . 50.0 110.205 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.21 -38.3 88.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.127 -0.983 . . . . 50.0 111.918 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -73.67 -25.11 60.1 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -78.04 -30.02 49.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.933 0.873 . . . . 50.0 109.922 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.27 85.11 3.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.626 -0.715 . . . . 50.0 109.761 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.74 -37.23 50.24 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.488 0.922 . . . . 50.0 113.488 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -61.44 -28.5 69.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.093 0.775 . . . . 50.0 113.093 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -84.5 -41.87 16.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.56 -0.904 . . . . 50.0 108.56 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.23 -37.65 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.81 -0.632 . . . . 50.0 111.32 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 52.6 mm-40 -52.25 -41.64 62.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.331 0.493 . . . . 50.0 112.331 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -41.16 17.33 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -32.06 73.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -173.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 56.7 pttt -66.69 -29.15 69.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 121.393 -0.817 . . . . 50.0 110.385 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.26 -38.81 63.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.34 91.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.94 -0.475 . . . . 25.0 110.891 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -41.36 90.53 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.05 -46.91 69.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.353 0.501 . . . . 50.0 112.353 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -68.26 -18.43 64.54 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -22.91 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.995 -0.372 . . . . 50.0 109.995 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.61 5.48 89.9 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 111.672 -0.571 . . . . 50.0 111.672 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.88 107.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.14 84.26 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.155 0.502 . . . . 50.0 111.037 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -126.16 135.44 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.438 -2.43 . . . . 50.0 104.438 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -72.03 157.05 38.52 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.926 -0.484 . . . . 50.0 110.399 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.2 -43.87 74.8 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 112.531 0.567 . . . . 50.0 112.531 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.11 71.58 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 123.273 0.358 . . . . 25.0 111.228 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -77.67 -46.85 20.75 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.898 -0.408 . . . . 50.0 109.898 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -51.42 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.032 -0.667 . . . . 50.0 111.727 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.3 -19.9 65.72 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.995 0.739 . . . . 50.0 112.995 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -62.32 -31.26 71.85 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 119.217 -0.993 . . . . 50.0 110.482 175.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -76.4 -23.89 54.04 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.994 -1.066 . . . . 50.0 110.832 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -76.51 -22.36 54.55 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 107.263 -1.384 . . . . 50.0 107.263 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.23 -34.98 36.76 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.524 -0.735 . . . . 50.0 109.052 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.46 -38.17 90.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.534 -0.757 . . . . 50.0 111.998 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.54 -31.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.578 -0.701 . . . . 50.0 111.23 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.9 -42.04 97.23 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.271 -0.893 . . . . 50.0 108.891 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.75 -53.14 19.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.605 -0.725 . . . . 50.0 112.065 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -72.03 -27.54 62.78 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.476 0.655 . . . . 25.0 112.492 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 63.1 m -125.29 78.43 67.35 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 50.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.57 -14.65 37.02 Favored 'Trans proline' 0 C--N 1.346 0.395 0 CA-C-O 122.041 0.767 . . . . 50.0 111.897 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -14.68 57.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 50.0 112.516 175.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.26 -53.21 33.17 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 118.328 0.513 . . . . 50.0 111.092 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.26 -21.23 27.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.47 -3.887 . . . . 50.0 113.55 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.6 -37.86 87.81 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.27 -0.269 . . . . 50.0 111.319 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 56.96 33.87 64.61 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 116.228 -0.442 . . . . 50.0 113.73 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.3 m -123.97 126.23 45.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.802 -1.185 . . . . 25.0 107.802 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.1 mt -122.31 103.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.714 1.245 . . . . 50.0 109.943 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.54 165.58 27.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 103.681 -2.711 . . . . 50.0 103.681 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.66 -30.56 50.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 117.725 0.238 . . . . 50.0 111.462 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -69.13 -31.89 70.88 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.472 -0.768 . . . . 50.0 110.215 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -76.25 -41.35 49.38 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -67.43 -30.1 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.322 0.49 . . . . 50.0 112.322 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -61.6 -41.28 97.23 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.957 -0.464 . . . . 50.0 110.448 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -62.1 -25.06 67.5 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 114.258 1.207 . . . . 50.0 114.258 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.24 -39.93 79.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.02 -36.14 64.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.482 -0.866 . . . . 50.0 110.989 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -60.18 -40.68 90.86 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 25.0 107.968 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -42.84 93.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 50.0 112.216 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -63.68 -37.08 85.99 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.21 -40.55 86.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.618 0.246 . . . . 50.0 110.713 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -63.18 -47.51 82.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.907 0.861 . . . . 50.0 109.493 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.52 -38.83 92.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.389 0.614 . . . . 50.0 110.223 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -65.79 -45.59 81.87 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.616 0.599 . . . . 50.0 112.616 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -29.61 70.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.533 0.568 . . . . 50.0 112.533 -172.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -60.16 -43.05 96.09 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.23 -5.64 6.04 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 117.355 2.354 . . . . 50.0 117.355 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.32 -161.99 39.72 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.795 -0.717 . . . . 50.0 112.446 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -70.05 -9.8 26.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.226 1.284 . . . . 50.0 115.383 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -75.46 -5.56 45.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -117.42 -43.25 2.83 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.124 0.416 . . . . 50.0 112.124 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.21 130.88 24.2 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 105.772 -1.936 . . . . 50.0 105.772 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.19 151.56 38.83 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.671 -3.086 . . . . 50.0 111.87 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.7 -20.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 121.876 -0.515 . . . . 50.0 110.703 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.28 -19.38 61.69 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.734 -0.604 . . . . 25.0 111.095 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.8 82.71 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.075 -0.65 . . . . 25.0 109.417 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.2 -31.28 65.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.152 0.501 . . . . 50.0 110.852 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.2 t -71.23 -43.67 66.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -63.2 -44.04 96.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -58.49 -40.38 82.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.877 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -63.78 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 50.0 111.357 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.97 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 50.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.02 -30.65 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -57.6 -45.68 85.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.03 -0.419 . . . . 50.0 110.448 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -75.1 -25.65 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.833 -0.747 . . . . 50.0 111.254 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.54 -40.34 89.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.05 -0.407 . . . . 50.0 110.497 175.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.65 -41.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.524 -0.547 . . . . 50.0 109.524 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.0 -27.32 68.23 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.086 0.47 . . . . 50.0 110.966 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -119.37 35.03 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -63.67 -19.64 65.06 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.014 0.435 . . . . 50.0 110.512 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.51 0.93 . . . . 50.0 113.51 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.59 8.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.504 0.668 . . . . 50.0 110.793 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -123.03 79.78 51.16 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.615 -0.883 . . . . 50.0 108.615 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.98 -21.45 56.75 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 117.855 -0.963 . . . . 50.0 114.336 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.61 -50.2 68.1 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 m -77.11 -27.71 16.32 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 C-N-CA 118.749 -1.18 . . . . 50.0 110.858 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.5 tpt -58.23 -42.16 85.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.234 0.47 . . . . 50.0 110.152 174.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.53 77.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.32 . . . . 25.0 110.185 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.48 56.89 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.121 -0.362 . . . . 25.0 110.479 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.15 -50.16 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.27 91.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.311 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.63 -39.41 91.2 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.47 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -69.0 -36.67 78.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.509 -0.744 . . . . 25.0 109.667 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.54 -44.03 97.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.552 -0.459 . . . . 50.0 109.929 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.12 -42.04 94.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.142 -0.349 . . . . 50.0 111.715 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.55 -38.99 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.402 -0.592 . . . . 50.0 109.402 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.27 -40.76 94.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.092 -0.38 . . . . 50.0 111.353 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 29.9 mmtp -68.78 -30.59 69.22 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.385 0.513 . . . . 50.0 112.385 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -76.0 -23.52 55.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.042 0.386 . . . . 50.0 112.042 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -84.63 125.19 32.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.399 0.619 . . . . 50.0 110.723 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.5 m -63.86 130.98 46.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.892 -0.781 . . . . 50.0 108.892 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -116.03 104.79 11.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.495 -0.775 . . . . 50.0 110.573 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.8 p -115.39 -6.79 12.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.858 -1.064 . . . . 25.0 110.548 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -93.96 81.36 4.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.505 -1.225 . . . . 50.0 108.068 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -151.47 149.2 28.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.664 0.986 . . . . 75.0 113.664 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -98.85 -41.51 7.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.957 -1.02 . . . . 50.0 111.789 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.89 109.89 4.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 -169.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -71.17 134.1 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -72.71 166.5 22.71 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -120.7 147.65 44.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.3 m170 57.81 -164.63 0.17 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 -174.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 CA--C 1.509 -0.61 0 N-CA-C 102.495 -3.15 . . . . 25.0 102.495 175.825 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.573 0 CA-C-O 119.977 -0.346 . . . . 50.0 113.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.69 -38.61 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.866 0.833 . . . . 50.0 110.84 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.92 -39.96 83.43 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.069 -0.394 . . . . 50.0 110.735 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.03 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.465 0.542 . . . . 50.0 112.465 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.6 -22.09 32.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.579 0.704 . . . . 50.0 110.334 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -79.39 77.02 5.96 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.18 -31.08 41.02 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.375 1.25 . . . . 50.0 114.375 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.36 -30.22 71.27 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.603 -0.685 . . . . 50.0 111.92 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -84.19 -39.87 18.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.05 -40.09 52.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 115.676 -0.693 . . . . 50.0 110.679 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -52.79 -52.16 57.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.085 0.469 . . . . 50.0 111.767 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -36.38 78.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.759 -0.46 . . . . 50.0 109.759 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.36 -23.42 66.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.958 0.725 . . . . 50.0 112.958 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -57.05 -40.25 76.44 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.501 -0.926 . . . . 50.0 108.501 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -73.08 -43.29 62.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.105 -0.952 . . . . 50.0 110.076 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.51 90.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.42 -40.2 96.54 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.531 -0.914 . . . . 75.0 108.531 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -71.36 -40.29 70.72 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 p -66.49 -21.78 66.18 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -72.47 -16.23 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.739 -0.384 . . . . 50.0 111.508 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.12 8.36 69.44 Favored Glycine 0 C--O 1.229 -0.191 0 N-CA-C 114.1 0.4 . . . . 50.0 114.1 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.72 137.89 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.48 84.29 7.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 50.0 109.919 -176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.14 157.09 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.808 -1.182 . . . . 50.0 107.808 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -104.67 152.85 21.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.86 -1.533 . . . . 50.0 106.86 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.81 -41.97 78.74 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.831 0.308 . . . . 50.0 111.831 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.5 74.48 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 111.588 0.218 . . . . 25.0 111.588 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.4 -47.67 17.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.129 0.49 . . . . 50.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.38 -49.99 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.306 0.574 . . . . 50.0 110.174 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.31 -19.9 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.22 -40.0 96.23 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -72.37 -28.63 63.14 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.702 -0.623 . . . . 50.0 111.387 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.04 -21.46 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.389 0.614 . . . . 50.0 109.564 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.83 -29.52 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.385 -0.822 . . . . 50.0 110.66 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.48 -38.09 86.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.002 -0.544 . . . . 50.0 111.481 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -41.74 92.51 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.698 -0.853 . . . . 50.0 108.698 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -40.21 95.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.049 -0.407 . . . . 50.0 111.682 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -26.19 66.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.722 0.267 . . . . 50.0 111.722 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -97.23 -29.42 13.58 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.443 0.639 . . . . 25.0 112.247 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.1 m -119.45 82.78 25.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 123.113 0.565 . . . . 50.0 110.876 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.27 -18.6 34.48 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 118.288 -0.674 . . . . 50.0 112.697 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -14.18 54.98 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.916 -0.583 . . . . 50.0 112.46 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.03 -49.17 36.86 Favored Pre-proline 0 CA--C 1.537 0.476 0 O-C-N 121.426 -0.796 . . . . 50.0 112.764 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.81 -22.87 42.32 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 113.46 -3.893 . . . . 50.0 113.049 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.77 -27.94 69.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.527 0.331 . . . . 50.0 111.452 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.76 -23.16 63.33 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.212 -0.305 . . . . 50.0 111.357 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.72 20.49 47.36 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 114.424 0.53 . . . . 50.0 114.424 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -132.96 133.13 42.77 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.545 0.338 . . . . 25.0 110.638 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -115.47 102.69 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 CA-C-O 123.666 1.698 . . . . 50.0 109.279 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -156.48 163.15 39.76 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 112.997 -1.91 . . . . 50.0 108.303 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.12 -26.0 37.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.215 -0.661 . . . . 50.0 109.215 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.91 -37.63 77.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.922 -0.399 . . . . 50.0 109.922 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -85.55 -43.98 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.05 0.453 . . . . 50.0 111.543 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -62.11 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.264 0.839 . . . . 50.0 113.264 -175.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -59.96 -40.4 88.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.832 -0.542 . . . . 50.0 111.303 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -59.29 -26.63 65.12 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 112.807 0.669 . . . . 50.0 112.807 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.55 -41.12 85.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.405 0.621 . . . . 50.0 110.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.63 53.34 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.147 -1.181 . . . . 50.0 110.147 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 -43.63 91.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 50.0 112.132 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -64.2 -36.73 85.01 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.43 -44.28 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.251 -0.278 . . . . 50.0 110.251 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -61.41 -49.96 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.84 0.828 . . . . 50.0 109.837 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.86 -34.81 78.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.083 -0.508 . . . . 50.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.76 -38.45 83.46 Favored 'General case' 0 C--O 1.214 -0.795 0 O-C-N 122.288 -0.257 . . . . 50.0 111.136 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.66 65.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.419 -0.8 . . . . 50.0 110.358 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 m -64.06 -41.19 97.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.33 -2.83 6.25 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 116.967 2.21 . . . . 50.0 116.967 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.79 -175.94 52.05 Favored Glycine 0 C--O 1.243 0.711 0 O-C-N 121.533 -0.729 . . . . 50.0 114.31 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.47 -7.62 21.62 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.104 1.869 . . . . 50.0 115.317 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.18 -19.92 61.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 50.0 110.138 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -101.54 -42.64 6.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.322 0.86 . . . . 50.0 113.322 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 80.5 t -119.05 131.17 24.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.814 -1.55 . . . . 50.0 106.814 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.42 150.03 19.35 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 115.738 -2.374 . . . . 50.0 111.833 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.49 -24.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.22 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -67.67 -21.51 65.35 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.945 -0.472 . . . . 25.0 111.581 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.2 -27.08 67.72 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.445 -0.785 . . . . 25.0 111.563 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -81.52 -30.67 33.11 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.037 -1.468 . . . . 50.0 107.037 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -69.64 -45.3 68.76 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.107 -1.406 . . . . 50.0 109.625 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.55 -43.69 93.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.774 -0.648 . . . . 50.0 109.289 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -55.65 -41.77 74.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.974 0.416 . . . . 50.0 111.717 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.28 -33.31 75.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.864 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 50.0 110.503 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.88 -30.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -56.1 -43.02 77.67 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.952 -0.467 . . . . 50.0 111.516 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.71 -24.82 38.53 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.203 -0.311 . . . . 50.0 110.949 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.04 -42.43 89.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.39 -43.28 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.769 0.319 . . . . 50.0 110.491 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.19 -38.07 82.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.4 . . . . 50.0 110.483 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -107.51 36.0 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.983 0.364 . . . . 50.0 111.983 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -60.72 -24.69 65.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.258 0.551 . . . . 50.0 110.231 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.45 -32.49 70.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.808 1.04 . . . . 50.0 113.808 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -112.87 10.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.681 0.753 . . . . 50.0 109.304 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -127.7 82.79 67.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 50.0 109.686 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.42 -17.67 43.99 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 117.628 -1.115 . . . . 50.0 113.663 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -50.96 63.75 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.734 -1.21 . . . . 50.0 107.734 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -76.84 -25.21 15.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.09 -0.644 . . . . 50.0 111.709 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -34.03 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.8 -0.563 . . . . 50.0 110.125 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.49 74.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.067 -0.396 . . . . 25.0 110.682 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -31.68 50.84 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.289 -0.257 . . . . 25.0 110.402 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.83 -51.68 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.985 -1.117 . . . . 50.0 107.985 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.79 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.881 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.79 -41.52 97.92 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.269 -0.572 . . . . 50.0 112.106 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.5 m -65.96 -42.95 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -55.67 -46.14 77.6 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 120.764 -0.374 . . . . 50.0 111.156 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.29 -30.6 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.858 0.688 . . . . 50.0 112.858 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.9 -38.44 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.045 -1.095 . . . . 50.0 108.045 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.07 -27.75 67.63 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.608 0.595 . . . . 50.0 112.608 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.56 -38.73 77.56 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.629 -0.508 . . . . 50.0 109.629 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.0 t -83.44 -52.21 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 43.95 35.79 1.23 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 115.51 1.67 . . . . 50.0 115.51 -176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 t -71.6 101.71 2.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.953 -0.567 . . . . 50.0 110.711 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -66.34 -17.92 65.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.1 0.408 . . . . 50.0 112.1 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 m 44.35 49.05 8.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 122.38 1.086 . . . . 25.0 113.708 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 56.18 32.41 20.16 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.704 2.113 . . . . 50.0 116.704 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.54 154.45 38.63 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.375 0.88 . . . . 50.0 113.375 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.82 72.9 0.4 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 116.463 2.024 . . . . 50.0 116.463 -176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -86.05 54.59 3.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.766 -1.208 . . . . 25.0 113.923 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 2.76 29.01 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.168 3.396 . . . . 25.0 120.168 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 42.63 39.37 1.59 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 117.979 2.585 . . . . 25.0 117.979 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -59.17 -42.17 90.14 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.406 2.002 . . . . 25.0 116.406 -171.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -116.91 161.69 18.94 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 173.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.148 0 N-CA-C 111.108 -0.797 . . . . 50.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.72 -27.71 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.448 -0.442 . . . . 50.0 110.871 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -78.18 -38.38 43.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.723 0.773 . . . . 50.0 109.856 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.96 -36.47 84.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.696 0.628 . . . . 50.0 112.696 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -68.16 -13.45 62.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.086 1.143 . . . . 50.0 114.086 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -113.66 -3.3 13.59 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.001 0.429 . . . . 50.0 111.74 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -85.91 92.51 8.68 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 105.831 -1.914 . . . . 50.0 105.831 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -53.91 -34.71 60.34 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.384 1.253 . . . . 50.0 114.384 -172.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -56.36 -38.94 72.09 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.015 -0.428 . . . . 50.0 111.823 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -77.49 -39.74 45.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.408 0.623 . . . . 50.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.3 -38.02 66.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 115.639 -0.709 . . . . 50.0 109.599 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HG2' ' HZ1' ' A' ' 16' ' ' LYS . 38.1 mt-10 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.924 -0.711 . . . . 50.0 109.754 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.74 -23.55 63.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HZ1' ' HG2' ' A' ' 13' ' ' GLU . 90.9 mttt -56.32 -40.94 75.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 106.686 -1.598 . . . . 50.0 106.686 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -83.81 -44.84 13.94 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 115.625 -0.716 . . . . 50.0 112.306 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.3 89.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.36 -39.59 92.51 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.5 -41.32 80.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -69.89 -23.27 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.189 0.45 . . . . 25.0 111.96 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -71.6 -21.71 61.82 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.044 -0.662 . . . . 50.0 109.458 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.66 16.77 78.7 Favored Glycine 0 C--O 1.228 -0.275 0 C-N-CA 121.377 -0.439 . . . . 50.0 114.0 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.18 128.86 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -77.04 84.32 3.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.89 0.376 . . . . 50.0 110.907 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -119.33 135.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -74.7 145.23 43.29 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 106.71 -1.589 . . . . 50.0 106.71 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.82 -43.53 69.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.907 -0.496 . . . . 50.0 112.011 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.39 77.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.84 -40.6 68.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 121.015 -0.274 . . . . 50.0 111.305 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.97 -54.78 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 50.0 110.686 -176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -19.85 66.08 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.221 0.823 . . . . 50.0 113.221 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -60.15 -35.04 74.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.628 -0.67 . . . . 50.0 109.96 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.89 -25.14 55.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.808 -0.557 . . . . 50.0 111.996 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.95 -32.38 69.24 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 108.17 -1.048 . . . . 50.0 108.17 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -38.82 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.687 0.756 . . . . 50.0 110.967 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.17 -30.26 69.21 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.05 -27.7 38.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 119.946 -0.702 . . . . 50.0 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -66.08 -43.27 87.82 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.002 0.742 . . . . 50.0 113.002 -169.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.61 -32.87 73.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.172 0.51 . . . . 50.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -77.28 -37.99 51.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.335 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -124.55 79.66 61.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 123.181 0.592 . . . . 50.0 110.42 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.37 -22.72 33.47 Favored 'Trans proline' 0 C--O 1.222 -0.324 0 CA-C-O 121.216 0.423 . . . . 50.0 112.529 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -15.04 60.04 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.898 0.703 . . . . 50.0 112.898 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -64.46 -52.99 49.05 Favored Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.689 -0.632 . . . . 50.0 112.318 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.07 -20.88 24.68 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 113.628 -3.782 . . . . 50.0 114.386 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.38 -34.72 78.98 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.957 0.408 . . . . 50.0 111.005 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.21 -16.56 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 50.0 110.853 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.45 23.5 48.95 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 116.587 1.395 . . . . 50.0 116.587 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.4 m -134.92 138.0 43.68 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mm -116.57 115.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.354 1.073 . . . . 50.0 109.264 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -154.8 168.9 25.34 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.665 -1.152 . . . . 50.0 108.04 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.72 -38.71 80.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 C-N-CA 120.454 -0.498 . . . . 50.0 111.419 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -61.04 -34.44 74.87 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.155 0.434 . . . . 50.0 111.884 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -78.47 -34.97 47.25 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.183 0.447 . . . . 50.0 110.058 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -64.94 -28.66 69.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -61.51 -48.3 81.69 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.54 -29.08 58.28 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 113.954 -1.475 . . . . 50.0 113.074 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.79 -41.36 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.451 0.643 . . . . 50.0 109.577 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -36.44 67.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.645 -0.982 . . . . 50.0 110.645 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -38.24 89.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.04 93.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 50.0 111.606 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.81 -39.41 94.18 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -65.41 -39.19 91.85 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 116.551 -0.295 . . . . 50.0 111.286 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.86 -50.21 74.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.986 0.898 . . . . 50.0 109.931 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -32.32 73.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.534 -0.757 . . . . 50.0 109.935 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.03 -38.33 69.58 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.113 -0.494 . . . . 50.0 112.201 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -32.04 67.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.267 -0.896 . . . . 50.0 109.417 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.1 m -66.22 -42.99 87.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.448 -0.796 . . . . 25.0 113.041 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.23 3.64 6.38 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.543 2.423 . . . . 50.0 117.543 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.72 -167.31 54.48 Favored Glycine 0 C--O 1.247 0.924 0 O-C-N 121.573 -0.704 . . . . 50.0 114.061 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -70.96 -10.15 27.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 121.091 1.194 . . . . 50.0 113.503 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.63 -25.12 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.448 0.642 . . . . 50.0 110.243 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -107.14 -42.28 4.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.378 1.251 . . . . 50.0 114.378 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.0 t -122.81 131.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.48 148.79 26.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 115.712 -2.392 . . . . 50.0 112.659 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.46 -21.23 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.945 -0.472 . . . . 50.0 111.722 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.7 t -70.12 -22.63 62.99 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.542 -0.724 . . . . 25.0 110.985 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.41 87.15 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 119.922 -0.711 . . . . 25.0 109.957 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -72.03 -32.65 67.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.513 0.673 . . . . 50.0 110.897 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.77 -46.68 68.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.2 -40.3 93.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 50.0 110.444 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -58.11 -39.11 77.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 50.0 111.231 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -64.74 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.472 -0.331 . . . . 50.0 111.678 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.87 -38.08 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.33 0.586 . . . . 50.0 110.073 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.87 -31.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.601 -0.687 . . . . 25.0 109.264 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -58.14 -46.85 84.92 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.152 -0.343 . . . . 50.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.53 . . . . 50.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.95 -41.28 74.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.037 -0.414 . . . . 50.0 111.663 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.5 mt -74.09 -40.86 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.16 -0.682 . . . . 50.0 109.16 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.87 -35.48 74.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 50.0 110.858 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -111.01 30.88 6.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.44 . . . . 50.0 112.103 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -59.75 -26.29 65.56 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -62.91 -35.65 80.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.477 0.547 . . . . 50.0 112.477 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -106.15 7.63 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.267 0.556 . . . . 50.0 111.361 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -125.18 78.53 66.82 Favored Pre-proline 0 N--CA 1.469 0.492 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -66.78 -18.61 53.2 Favored 'Trans proline' 0 C--N 1.346 0.418 0 N-CA-C 114.659 0.984 . . . . 50.0 114.659 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -63.29 -46.39 86.95 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.515 -0.92 . . . . 50.0 108.515 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.9 -27.86 6.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.856 -0.611 . . . . 50.0 110.565 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -38.83 85.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.637 -0.664 . . . . 50.0 111.236 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.77 71.18 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.406 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.43 -32.25 58.35 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.992 -0.443 . . . . 25.0 109.819 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.5 -47.68 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 107.556 -1.276 . . . . 50.0 107.556 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.37 90.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.151 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.19 -36.05 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.154 0.427 . . . . 50.0 112.154 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -63.21 -41.78 99.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.06 -41.62 96.96 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.024 -0.423 . . . . 50.0 111.812 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.03 -45.97 91.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.374 0.607 . . . . 50.0 110.534 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.04 -38.08 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.42 -37.1 79.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.88 0.696 . . . . 50.0 112.88 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -69.46 -34.26 74.12 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.617 -0.677 . . . . 50.0 110.615 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.1 t -83.54 -33.05 25.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 115.688 1.736 . . . . 50.0 115.688 -174.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -90.28 170.91 9.87 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.918 2.192 . . . . 50.0 116.918 -166.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.9 m -76.74 91.13 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.326 -1.306 . . . . 50.0 111.897 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -77.83 54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.977 0.417 . . . . 50.0 110.967 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 p -65.84 146.6 54.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 154.93 48.7 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.975 -0.557 . . . . 50.0 109.687 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 mt -129.83 158.28 39.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.863 -0.792 . . . . 50.0 108.863 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -1.14 16.32 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.794 0.806 . . . . 50.0 110.746 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 60.9 -170.12 0.16 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -129.11 25.65 5.52 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.439 -0.788 . . . . 25.0 112.403 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -134.41 28.57 3.68 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.166 0.508 . . . . 25.0 112.238 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -76.56 -9.78 58.91 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -125.83 162.49 25.0 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 . . . . . 0 C--N 1.322 -0.609 1 N-CA-C 100.187 -4.005 . . . . 25.0 100.187 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 N-CA-C 112.848 -0.101 . . . . 50.0 112.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -39.37 82.84 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.451 -0.44 . . . . 50.0 111.089 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -75.38 -39.92 58.59 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.025 0.916 . . . . 50.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.42 -35.22 73.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.96 -0.563 . . . . 50.0 110.903 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -76.7 -6.96 54.31 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.565 0.95 . . . . 50.0 113.565 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -99.06 -24.03 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.495 -0.557 . . . . 50.0 109.495 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -79.04 103.56 9.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.739 0.304 . . . . 50.0 111.667 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.87 -43.73 6.52 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.358 1.984 . . . . 50.0 116.358 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -74.21 -37.6 63.84 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.473 -0.767 . . . . 50.0 111.773 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.23 -41.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 50.0 110.077 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -45.9 90.9 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.563 0.62 . . . . 50.0 111.567 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -61.67 -41.24 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.186 0.517 . . . . 50.0 110.103 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.45 -23.72 63.71 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -62.14 -39.55 92.96 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.005 -1.48 . . . . 50.0 107.005 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -76.02 -42.57 47.56 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.055 -0.52 . . . . 50.0 110.291 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.65 94.46 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.14 -39.69 93.44 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.81 -45.75 67.2 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.479 0.918 . . . . 50.0 113.479 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -66.87 -22.17 65.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.825 0.345 . . . . 25.0 111.393 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -68.42 -18.99 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.381 -0.372 . . . . 50.0 110.366 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 4.27 84.39 Favored Glycine 0 C--O 1.239 0.444 0 CA-C-N 116.313 -0.403 . . . . 50.0 113.407 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.56 145.44 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 107.032 -1.469 . . . . 50.0 107.032 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -97.48 84.34 3.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 -170.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.87 159.54 22.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.408 -0.96 . . . . 50.0 108.408 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -104.79 160.16 15.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.83 -40.15 91.69 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.953 -0.299 . . . . 50.0 110.345 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.05 82.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.734 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -78.59 -46.9 18.3 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 116.11 -0.495 . . . . 50.0 110.695 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.78 -53.68 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 -19.96 66.13 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.059 0.763 . . . . 50.0 113.059 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -59.25 -37.14 76.85 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.405 -0.809 . . . . 50.0 109.982 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -73.73 -23.74 59.81 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 121.342 -0.849 . . . . 50.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.62 -27.15 62.91 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 173.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -71.11 -33.85 70.55 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 174.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -67.24 -42.07 84.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.99 -0.55 . . . . 50.0 112.155 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -36.03 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 109.646 -0.502 . . . . 50.0 109.646 176.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -39.21 86.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.94 -0.475 . . . . 50.0 111.528 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.93 -46.65 20.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.065 0.765 . . . . 50.0 113.065 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -72.87 -29.1 62.92 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.333 0.587 . . . . 25.0 111.611 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.2 m -125.55 78.54 68.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 50.0 110.193 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.18 -16.82 31.68 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.07 0.363 . . . . 50.0 112.669 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -20.0 51.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 50.0 112.315 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -61.92 -53.28 61.41 Favored Pre-proline 0 CA--C 1.543 0.686 0 O-C-N 121.86 -0.525 . . . . 50.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.33 -23.6 23.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 113.78 -3.68 . . . . 50.0 115.136 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.62 -37.27 86.11 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.369 0.507 . . . . 50.0 112.369 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' CD ' HH12 ' A' ' 55' ' ' ARG . 44.0 mt-10 -79.64 -6.78 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.424 . . . . 50.0 111.32 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.4 22.22 50.69 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.045 1.178 . . . . 50.0 116.045 173.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -130.67 136.98 49.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.767 0.784 . . . . 25.0 110.138 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -124.13 103.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.509 1.147 . . . . 50.0 109.029 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.91 163.24 24.08 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 105.49 -2.041 . . . . 50.0 105.49 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.47 -36.13 75.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 N-CA-C 106.794 -1.558 . . . . 50.0 106.794 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -57.13 -37.35 71.88 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.101 0.477 . . . . 50.0 110.492 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.503 HH12 ' CD ' ' A' ' 48' ' ' GLU . 83.6 mtt-85 -79.33 -37.76 36.79 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.796 -0.638 . . . . 50.0 110.866 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -64.69 -30.17 71.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.35 0.5 . . . . 50.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -59.78 -49.88 75.99 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.895 0.855 . . . . 50.0 108.717 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -55.74 -28.64 56.93 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 113.702 -1.59 . . . . 50.0 114.131 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.37 -40.92 87.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.551 0.691 . . . . 50.0 109.396 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.78 -33.47 55.41 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.165 -0.774 . . . . 50.0 111.165 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.88 -39.96 93.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 176.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.6 -43.26 94.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.743 -0.662 . . . . 50.0 111.646 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.16 -39.32 94.32 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -64.96 -45.83 84.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.558 -0.292 . . . . 50.0 110.375 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -67.89 -37.94 82.39 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.436 -0.506 . . . . 50.0 110.559 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.3 -37.4 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.18 -38.21 89.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.075 -0.39 . . . . 50.0 110.221 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.44 -32.36 73.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.961 0.41 . . . . 50.0 110.185 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.1 m -76.12 -42.07 48.13 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.51 0.68 6.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 117.533 2.42 . . . . 50.0 117.533 -170.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -177.76 54.23 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 116.331 1.293 . . . . 50.0 116.331 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.92 -8.02 22.68 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.226 2.617 . . . . 50.0 114.944 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.98 -26.99 61.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.063 0.459 . . . . 50.0 111.453 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.39 -38.32 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.798 -0.637 . . . . 50.0 111.414 -171.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.39 131.01 24.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 104.319 -2.474 . . . . 50.0 104.319 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -85.86 154.82 10.05 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 115.466 -2.556 . . . . 50.0 112.489 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.31 -23.07 31.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.712 -0.618 . . . . 50.0 111.496 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.3 t -70.75 -23.01 62.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.665 -0.647 . . . . 25.0 111.318 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.57 81.55 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 120.059 -0.656 . . . . 25.0 110.805 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -70.86 -32.34 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 50.0 110.562 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.7 t -68.76 -46.94 67.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.049 -0.723 . . . . 50.0 109.049 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.01 -40.87 95.54 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.177 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.75 -39.64 77.85 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.108 -0.37 . . . . 50.0 111.146 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.83 -32.27 72.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.445 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.87 -43.94 97.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.898 0.38 . . . . 50.0 110.149 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.6 mp -77.32 -31.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.03 -49.9 72.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.125 -0.359 . . . . 50.0 110.508 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.275 -0.57 . . . . 50.0 111.287 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.67 -40.52 84.47 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 121.877 -0.514 . . . . 50.0 111.582 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.17 -37.95 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.92 -18.96 65.69 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.01 35.37 3.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.215 0.531 . . . . 50.0 110.582 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.59 -28.73 70.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.3 pm0 -69.0 -19.31 64.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.148 0.796 . . . . 50.0 113.148 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -111.2 7.34 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.469 0.652 . . . . 50.0 109.44 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -128.55 77.83 76.75 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 107.55 -1.278 . . . . 50.0 107.55 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.76 -19.77 59.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 116.992 -1.539 . . . . 50.0 114.605 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -69.21 -36.09 76.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.811 -0.44 . . . . 50.0 109.811 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.95 -29.51 6.64 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.286 0 C-N-CA 120.37 -0.532 . . . . 50.0 109.807 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.76 -43.41 94.31 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.587 0.63 . . . . 50.0 110.208 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.01 71.12 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.401 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.53 -29.6 59.51 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.58 -48.69 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.408 -1.33 . . . . 50.0 107.408 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.6 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -62.37 -38.69 90.55 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.644 -0.422 . . . . 50.0 112.136 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -36.6 77.79 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.627 -0.879 . . . . 25.0 108.627 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.26 -39.23 89.58 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.913 -0.492 . . . . 50.0 111.525 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.7 -47.46 72.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.524 . . . . 50.0 110.573 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.7 mt -64.0 -38.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.034 -0.53 . . . . 50.0 110.023 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.42 -37.95 87.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.898 -0.501 . . . . 50.0 112.025 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -73.21 -23.13 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.6 t -83.12 -20.33 35.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.157 0.503 . . . . 50.0 110.969 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -83.36 167.08 17.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.405 0.621 . . . . 50.0 110.625 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.4 t -142.66 161.77 37.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -126.37 48.68 2.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.437 -0.949 . . . . 50.0 108.437 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -107.65 161.2 15.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 25.4 7.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.202 1.001 . . . . 50.0 113.327 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.53 132.83 45.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 122.22 1.01 . . . . 50.0 110.672 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -154.57 167.16 31.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.391 -1.337 . . . . 50.0 107.391 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -139.08 49.32 1.85 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 115.027 1.491 . . . . 25.0 115.027 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -86.78 49.06 1.74 Allowed 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.591 -0.693 . . . . 25.0 111.439 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -152.14 141.65 21.68 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.2 142.33 46.81 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -156.91 101.28 1.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 101.429 -3.545 . . . . 25.0 101.429 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.257 1.461 0 N-CA-C 103.59 -2.744 . . . . 25.0 103.59 -160.117 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.418 0 N-CA-C 111.963 -0.455 . . . . 50.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.23 -41.14 86.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.935 0.368 . . . . 50.0 111.224 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.46 -23.21 50.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.497 -0.481 . . . . 50.0 110.76 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.16 -39.85 82.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.555 -0.716 . . . . 50.0 109.966 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -14.49 63.03 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 172.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.7 -24.89 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.399 0.619 . . . . 50.0 109.864 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.28 91.56 3.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.968 -0.382 . . . . 50.0 109.968 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -45.61 -43.38 12.22 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 115.149 1.537 . . . . 50.0 115.149 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.55 -24.51 64.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.371 0.605 . . . . 50.0 112.332 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -83.62 -41.37 17.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.377 -0.971 . . . . 50.0 108.377 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.48 -36.67 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.136 -0.938 . . . . 50.0 110.188 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.2 -42.57 95.39 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -69.04 -41.23 77.94 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.649 -0.657 . . . . 50.0 109.666 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.13 -23.84 66.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.37 -42.58 74.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.241 -1.022 . . . . 50.0 108.241 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -84.07 -37.03 22.59 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.987 -0.552 . . . . 50.0 111.697 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.25 85.9 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.89 -38.49 91.16 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.693 -1.225 . . . . 50.0 107.693 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -70.01 -39.28 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.174 1.176 . . . . 50.0 114.174 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 p -67.56 -22.82 65.38 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.977 0.808 . . . . 25.0 111.491 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -23.5 64.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.553 -0.536 . . . . 50.0 109.553 174.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.77 -0.62 70.67 Favored Glycine 0 C--O 1.238 0.393 0 CA-C-N 116.538 -0.301 . . . . 50.0 113.311 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.14 132.58 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -89.39 84.36 6.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.558 -0.747 . . . . 50.0 109.486 -174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.59 156.84 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.638 0.732 . . . . 50.0 109.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -86.64 138.05 31.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 50.0 109.364 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -49.5 66.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.779 0.323 . . . . 50.0 111.806 177.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.91 66.64 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.037 -0.528 . . . . 25.0 112.41 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -85.96 -38.55 17.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.973 -0.38 . . . . 50.0 109.973 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -54.68 18.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.451 -0.499 . . . . 50.0 110.809 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.06 -19.97 63.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.078 0.77 . . . . 50.0 113.078 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -33.82 76.22 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.556 -0.715 . . . . 50.0 109.785 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -75.93 -24.77 55.53 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.734 -0.604 . . . . 50.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.45 -32.08 71.84 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.865 -1.161 . . . . 50.0 107.865 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.27 -32.16 60.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.899 -0.501 . . . . 50.0 110.182 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.47 -29.64 69.8 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.089 -0.505 . . . . 50.0 111.296 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.58 -50.81 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 N-CA-C 108.024 -1.102 . . . . 50.0 108.024 173.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -37.96 89.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.129 -0.941 . . . . 50.0 109.627 -172.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.36 -47.24 77.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.584 -0.735 . . . . 50.0 112.309 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -82.22 -27.39 32.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.464 0.65 . . . . 25.0 112.291 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.5 78.55 62.3 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 122.944 0.498 . . . . 50.0 110.192 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.88 -19.04 40.96 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-O 121.477 0.532 . . . . 50.0 113.319 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -18.8 58.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -68.74 -52.21 18.86 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 121.496 -0.753 . . . . 50.0 112.201 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.93 -23.54 29.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 114.664 -3.091 . . . . 50.0 114.471 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.53 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 50.0 111.504 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.89 -10.6 59.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 111.985 0.365 . . . . 50.0 111.985 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.58 25.12 34.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 117.688 1.835 . . . . 50.0 117.688 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -133.66 136.96 45.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.821 0.811 . . . . 25.0 110.282 -174.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.1 mm -111.69 111.58 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.965 1.364 . . . . 50.0 110.221 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -155.63 159.62 39.76 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.332 -1.304 . . . . 50.0 110.916 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.18 -29.92 46.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 111.812 0.301 . . . . 50.0 111.812 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -61.81 -33.44 74.13 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -85.29 -38.43 18.85 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.309 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -64.9 -30.7 71.71 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.14 -40.57 96.4 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.875 -0.516 . . . . 50.0 110.228 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -62.82 -25.53 68.3 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.132 1.16 . . . . 50.0 114.132 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.38 -39.77 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.429 -0.952 . . . . 50.0 108.429 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.7 63.49 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.844 -0.902 . . . . 50.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -61.0 -38.95 87.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.9 -45.88 84.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.846 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.14 -38.96 93.26 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.824 -0.806 . . . . 50.0 108.824 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.91 -42.58 89.98 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.548 -0.296 . . . . 50.0 110.956 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.96 -45.63 84.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.569 0.699 . . . . 50.0 110.665 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.84 -36.14 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.97 -38.53 88.81 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.122 -0.362 . . . . 50.0 110.79 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.16 -35.24 76.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.096 0.474 . . . . 50.0 109.908 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.4 m -73.56 -43.27 60.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.16 1.31 7.16 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.364 2.357 . . . . 50.0 117.364 -169.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.61 178.99 52.1 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 117.951 1.94 . . . . 50.0 117.951 172.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.69 -9.64 25.26 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.374 2.716 . . . . 50.0 115.147 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -83.34 -3.99 58.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.38 0.609 . . . . 50.0 111.305 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -123.9 -40.02 2.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.4 -0.818 . . . . 50.0 110.841 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.34 131.13 24.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 103.553 -2.758 . . . . 50.0 103.553 164.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.2 155.95 11.07 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 115.425 -2.583 . . . . 50.0 112.714 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -22.68 30.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 121.87 -0.519 . . . . 50.0 111.523 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -70.77 -23.1 62.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.531 -0.731 . . . . 25.0 111.008 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.84 85.55 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 120.021 -0.672 . . . . 25.0 110.247 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -71.14 -31.39 67.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.418 0.627 . . . . 50.0 111.138 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -71.79 -44.72 63.49 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.953 -0.758 . . . . 50.0 108.953 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.83 -42.29 95.05 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.807 -0.633 . . . . 50.0 109.555 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -58.47 -39.85 81.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.935 0.398 . . . . 50.0 111.535 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.7 -31.87 73.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 122.416 0.286 . . . . 50.0 111.142 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.93 -40.45 97.67 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.132 0.491 . . . . 50.0 110.028 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.3 -28.37 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.314 -0.555 . . . . 25.0 109.514 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.56 -46.61 86.53 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 122.071 -0.393 . . . . 50.0 110.039 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.26 -27.95 61.86 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.684 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.85 -41.12 83.42 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.187 -0.32 . . . . 50.0 111.7 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -77.4 -40.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.64 -0.424 . . . . 50.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.58 -36.02 79.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.238 0.542 . . . . 50.0 109.715 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -110.6 37.34 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 50.0 111.763 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -62.52 -22.44 66.29 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 120.907 0.384 . . . . 50.0 110.573 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.61 -34.27 69.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.814 1.042 . . . . 50.0 113.814 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.66 9.25 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.526 0.679 . . . . 50.0 110.532 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -124.85 78.27 65.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -66.75 -19.77 53.03 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 116.881 -1.613 . . . . 50.0 114.654 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -66.32 -41.23 89.96 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.501 -0.925 . . . . 50.0 108.501 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -27.92 6.68 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.537 0 CA-C-N 115.56 -0.745 . . . . 50.0 110.195 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 tpt -61.43 -41.69 97.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.978 0.808 . . . . 50.0 110.271 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.76 -25.54 66.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.429 -0.794 . . . . 25.0 110.556 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.1 46.5 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.47 -51.15 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 106.852 -1.536 . . . . 50.0 106.852 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.245 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.31 -42.43 99.01 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.165 -0.614 . . . . 50.0 111.875 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.7 m -61.92 -41.91 98.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.61 -50.38 73.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.601 -0.44 . . . . 50.0 110.336 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 -176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.67 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.92 -22.34 65.96 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -68.65 -39.84 80.52 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.157 -0.683 . . . . 50.0 109.157 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.9 t -83.5 -54.81 4.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.664 . . . . 50.0 111.309 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.0 -157.95 0.1 Allowed 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.564 -1.198 . . . . 50.0 110.976 -171.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 50.36 38.65 18.47 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.916 0.709 . . . . 50.0 112.916 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -81.3 -14.15 57.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.455 -0.943 . . . . 50.0 108.455 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.6 m -126.85 149.49 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.61 158.7 21.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.488 0.661 . . . . 50.0 111.285 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.8 mt 53.35 -138.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.714 -1.13 . . . . 50.0 112.961 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 161.01 41.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -142.05 55.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -62.05 2.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -177.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -170.27 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 166.91 23.86 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -173.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -77.51 -40.74 41.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.821 0.343 . . . . 25.0 110.091 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--O 1.253 1.245 0 N-CA-C 101.127 -3.657 . . . . 25.0 101.127 178.391 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.244 0 CA-C-O 120.971 0.206 . . . . 50.0 113.365 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -65.72 -37.98 87.93 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 122.458 -0.437 . . . . 50.0 111.491 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -75.26 -35.88 61.31 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -39.36 90.86 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.77 -0.581 . . . . 50.0 110.289 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -62.36 -32.36 73.14 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.481 0.919 . . . . 50.0 113.481 171.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.71 -26.78 55.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.694 0.759 . . . . 50.0 110.236 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 79.74 8.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.113 -0.494 . . . . 50.0 110.31 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.75 -31.91 28.57 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 115.026 1.491 . . . . 50.0 115.026 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.0 -28.73 70.3 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.383 -0.823 . . . . 50.0 112.936 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -87.5 -36.8 17.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.0 -32.55 47.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 N-CA-C 108.559 -0.904 . . . . 50.0 108.559 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -51.53 -49.05 62.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.169 0.588 . . . . 50.0 111.807 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -79.1 -36.02 41.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.802 0.334 . . . . 50.0 111.318 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.745 -0.597 . . . . 50.0 112.251 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -63.78 -39.23 93.76 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.925 -0.769 . . . . 50.0 108.925 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -69.04 -43.64 74.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.41 90.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.56 -40.56 95.16 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.96 -1.126 . . . . 75.0 107.96 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -66.43 -43.1 86.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.447 0.536 . . . . 50.0 112.447 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -23.17 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.924 0.329 . . . . 25.0 111.383 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -71.05 -24.22 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.74 11.9 84.96 Favored Glycine 0 CA--C 1.511 -0.173 0 N-CA-C 111.381 -0.688 . . . . 50.0 111.381 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -84.56 145.98 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.489 -0.93 . . . . 50.0 108.489 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -115.43 84.39 2.09 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -134.76 135.29 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 104.45 -2.426 . . . . 50.0 104.45 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -64.86 146.31 55.06 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -43.88 72.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.527 1.306 . . . . 50.0 114.527 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.84 69.57 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.139 0.495 . . . . 25.0 111.579 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.31 -40.23 37.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.272 -0.64 . . . . 50.0 109.272 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.42 -55.39 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.452 0.644 . . . . 75.0 109.385 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.36 -19.85 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.289 1.218 . . . . 50.0 114.289 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -65.31 -32.29 73.86 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.904 -1.123 . . . . 50.0 110.127 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -74.03 -23.85 59.47 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.339 -0.851 . . . . 50.0 110.984 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.46 -30.94 66.59 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 108.248 -1.019 . . . . 50.0 108.248 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.8 -33.11 71.92 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.6 -0.687 . . . . 50.0 109.926 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -64.17 -31.67 72.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 50.0 110.687 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.08 -48.94 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.237 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.51 -40.74 95.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.49 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -47.5 44.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -176.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.554 0.692 . . . . 25.0 111.072 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.4 m -124.73 80.16 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.933 -0.576 . . . . 50.0 110.203 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.47 -17.72 34.15 Favored 'Trans proline' 0 C--N 1.346 0.398 0 CA-C-O 121.725 0.635 . . . . 50.0 111.647 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -16.4 56.9 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.397 -0.819 . . . . 50.0 111.839 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.62 -50.62 35.04 Favored Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 120.885 -1.134 . . . . 50.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.9 -21.73 37.25 Favored 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 113.162 -4.092 . . . . 50.0 112.91 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -68.02 -36.15 79.46 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.474 0.31 . . . . 50.0 111.374 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.72 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.48 15.52 39.7 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 115.13 0.812 . . . . 50.0 115.13 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -133.51 135.66 44.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -124.0 102.77 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.723 1.249 . . . . 50.0 110.092 -172.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -140.44 162.93 34.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.904 -1.887 . . . . 50.0 105.904 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.87 -27.53 42.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 111.795 0.295 . . . . 50.0 111.795 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -62.56 -42.7 99.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.725 -0.609 . . . . 50.0 110.722 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -83.01 -29.5 28.85 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.998 0.428 . . . . 50.0 110.341 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -65.62 -32.86 74.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.865 0.364 . . . . 50.0 110.204 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.81 -39.97 95.94 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 119.098 -0.477 . . . . 50.0 111.404 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -56.12 -32.28 64.08 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.911 0.337 . . . . 50.0 111.911 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.31 -42.77 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.332 0.587 . . . . 50.0 110.609 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.7 -34.15 59.89 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.418 -0.896 . . . . 50.0 111.481 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -40.07 95.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.6 -44.7 93.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.518 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -62.34 -36.5 82.41 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.605 -0.517 . . . . 50.0 109.605 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.071 -0.252 . . . . 50.0 110.716 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.54 -43.11 81.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 50.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -36.63 84.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 50.0 109.747 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -68.11 -38.44 82.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.34 . . . . 50.0 110.602 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.61 -38.58 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.988 0.423 . . . . 50.0 110.581 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -76.91 -42.23 40.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.975 0.732 . . . . 25.0 112.975 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -112.84 -4.22 14.03 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.714 1.376 . . . . 50.0 114.714 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 177.64 51.89 Favored Glycine 0 C--O 1.243 0.664 0 N-CA-C 115.114 0.806 . . . . 50.0 115.114 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.88 -5.28 16.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.889 2.393 . . . . 50.0 113.82 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.3 -25.69 60.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.068 -0.514 . . . . 50.0 111.271 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -107.76 -33.45 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 50.0 111.103 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.84 130.88 24.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 105.486 -2.042 . . . . 50.0 105.486 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -81.29 155.14 19.08 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 115.765 -2.357 . . . . 50.0 111.423 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.38 -20.73 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 121.664 -0.647 . . . . 50.0 110.659 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -75.27 -17.75 60.24 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.751 -0.593 . . . . 25.0 111.409 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.55 79.41 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.689 -0.632 . . . . 25.0 109.553 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -71.67 -30.06 65.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.127 0.489 . . . . 50.0 111.289 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -72.62 -44.55 61.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.954 -0.758 . . . . 50.0 108.954 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -62.87 -41.73 99.5 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.776 -0.647 . . . . 50.0 109.737 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.64 -38.96 86.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.977 0.417 . . . . 50.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -65.28 -29.44 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.497 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.3 -43.54 94.42 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.878 -0.415 . . . . 50.0 109.878 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.52 -30.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.397 -0.815 . . . . 25.0 108.968 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.14 -43.74 87.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 118.705 -0.664 . . . . 50.0 110.031 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.55 -28.87 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.319 0.963 . . . . 50.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.41 -41.88 93.12 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.332 -0.248 . . . . 50.0 110.332 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.75 -42.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 50.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.77 -36.83 72.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.078 0.551 . . . . 50.0 109.832 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -117.05 34.69 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.469 -0.332 . . . . 50.0 111.522 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -64.74 -22.73 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.561 0.695 . . . . 50.0 109.754 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.83 -29.52 66.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.361 1.245 . . . . 50.0 114.361 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.31 9.72 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.372 0.606 . . . . 50.0 110.748 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -125.58 81.15 65.18 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.17 -24.25 59.17 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 116.953 -1.565 . . . . 50.0 115.334 -174.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.01 -39.26 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.83 -27.77 6.7 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 C-N-CA 120.029 -0.668 . . . . 50.0 110.629 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.882 -0.784 . . . . 50.0 108.882 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.31 75.18 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.51 -30.68 63.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.63 -47.99 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.211 -1.033 . . . . 50.0 108.211 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.31 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.232 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.52 -38.28 90.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.292 0.479 . . . . 50.0 112.292 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.3 m -67.48 -38.93 85.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -62.13 -42.14 98.95 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.317 -0.553 . . . . 50.0 111.104 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.47 -43.96 93.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.964 0.411 . . . . 50.0 110.442 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.11 -42.87 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.21 -0.45 . . . . 50.0 109.895 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -38.67 90.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.935 0.397 . . . . 50.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -66.64 -33.84 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.074 -0.343 . . . . 50.0 110.074 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -74.12 -29.64 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.504 -0.316 . . . . 50.0 111.666 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -67.44 -30.9 70.76 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.106 -0.702 . . . . 50.0 109.106 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 t 60.11 -166.05 0.2 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 122.336 1.065 . . . . 50.0 111.753 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -126.98 20.43 6.97 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.153 -1.385 . . . . 50.0 109.289 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -76.54 159.8 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.422 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.12 39.71 27.17 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.689 0.996 . . . . 50.0 113.689 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.73 142.59 55.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.12 0.962 . . . . 50.0 112.483 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -106.62 -159.66 0.71 Allowed 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.913 -1.04 . . . . 50.0 111.101 -176.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.02 -42.25 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.722 2.119 . . . . 25.0 116.722 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -66.02 91.45 0.15 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.831 1.049 . . . . 25.0 113.831 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -60.11 142.04 54.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.308 0.575 . . . . 25.0 111.487 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -156.64 157.96 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.784 -2.302 . . . . 25.0 104.784 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -77.08 86.59 3.57 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 27.3 t60 . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 114.879 -2.486 . . . . 25.0 107.236 -169.076 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.269 0 N-CA-C 110.615 -0.994 . . . . 50.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.84 -36.74 84.32 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.466 -0.432 . . . . 50.0 111.866 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -76.66 -29.36 56.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.095 -0.378 . . . . 50.0 110.187 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.94 -33.55 76.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.825 -0.547 . . . . 50.0 111.47 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -74.19 -3.83 32.19 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.964 0.727 . . . . 50.0 112.964 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -116.56 -13.29 10.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.219 0.533 . . . . 50.0 110.36 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -78.34 98.4 5.95 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 106.672 -1.603 . . . . 50.0 106.672 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -46.81 -43.21 18.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.197 1.184 . . . . 50.0 114.197 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -65.49 -33.57 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.191 0.812 . . . . 50.0 113.191 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -72.87 -42.32 63.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.98 -31.02 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.098 -0.955 . . . . 50.0 110.94 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.31 -52.39 65.46 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.66 -0.65 . . . . 50.0 111.263 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -69.39 -42.25 75.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.572 0.701 . . . . 50.0 111.468 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.81 -23.4 66.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.441 0.534 . . . . 50.0 112.441 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -36.34 60.34 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.824 -0.435 . . . . 50.0 109.824 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.36 -47.75 11.95 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.677 -0.692 . . . . 50.0 110.141 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.35 70.42 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.141 1.163 . . . . 25.0 114.141 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.92 -39.79 90.73 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.64 -0.504 . . . . 50.0 109.64 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.02 -36.21 23.3 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.955 1.465 . . . . 50.0 114.955 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -66.34 -19.49 65.82 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -73.31 -17.15 61.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.994 0.426 . . . . 50.0 110.535 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.43 -4.54 72.3 Favored Glycine 0 C--O 1.238 0.37 0 CA-C-O 121.199 0.333 . . . . 50.0 113.003 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -89.37 130.88 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.542 -1.281 . . . . 50.0 107.542 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -88.65 84.29 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 m -131.41 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 50.0 110.607 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -90.82 161.43 15.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.95 -37.59 74.41 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 122.19 -0.319 . . . . 50.0 110.462 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.21 86.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 25.0 109.999 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.47 -40.51 80.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.2 tp -75.93 -54.27 7.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.14 0.792 . . . . 75.0 113.14 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.54 -20.02 66.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.432 0.53 . . . . 50.0 112.432 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.62 -40.63 65.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.112 0.482 . . . . 50.0 110.076 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.71 -23.86 42.07 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.082 0.401 . . . . 50.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.08 -31.24 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.101 -1.074 . . . . 50.0 108.101 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.39 -21.21 39.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.98 0.419 . . . . 50.0 111.484 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.34 -26.92 65.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.182 0.515 . . . . 50.0 109.984 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.15 -45.4 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.09 -42.26 99.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.823 -1.08 . . . . 50.0 112.417 -168.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.87 -36.88 64.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 50.0 112.04 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -79.09 -37.23 39.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.526 0.679 . . . . 25.0 110.65 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.2 79.08 59.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 50.0 110.534 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.72 -14.89 30.23 Favored 'Trans proline' 0 C--N 1.344 0.316 0 CA-C-O 121.732 0.638 . . . . 50.0 111.926 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -14.66 47.92 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.279 -0.873 . . . . 50.0 111.635 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.66 -49.7 38.6 Favored Pre-proline 0 CA--C 1.536 0.438 0 O-C-N 121.104 -0.997 . . . . 50.0 112.082 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.7 -20.09 40.71 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 112.951 -4.233 . . . . 50.0 113.146 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.13 -26.88 65.11 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.68 0.392 . . . . 50.0 111.501 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.22 -19.26 63.16 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.103 -0.373 . . . . 50.0 110.162 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.21 15.74 38.75 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 116.316 1.286 . . . . 50.0 116.316 174.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 m -134.73 135.39 41.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.6 0.7 . . . . 25.0 110.231 -174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.76 111.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.673 1.225 . . . . 50.0 108.724 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -151.71 154.76 36.94 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 106.838 -1.541 . . . . 50.0 106.838 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.5 tp -68.58 -29.82 45.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.68 -0.691 . . . . 50.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -65.83 -34.17 77.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -83.54 -37.25 23.26 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.905 -0.589 . . . . 50.0 110.208 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -64.07 -30.33 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.707 0.289 . . . . 50.0 111.429 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.92 -42.24 97.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.28 -0.263 . . . . 50.0 110.418 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -55.95 -31.3 62.84 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.27 -40.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 50.0 109.537 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.43 -35.2 59.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.606 -0.998 . . . . 50.0 110.606 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -43.71 92.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.45 178.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -62.41 -39.16 92.38 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.513 -0.551 . . . . 50.0 109.513 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.09 -39.63 82.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.684 0.278 . . . . 50.0 110.977 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -62.99 -47.46 83.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.77 0.795 . . . . 50.0 109.285 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -37.23 86.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.747 -0.661 . . . . 50.0 110.051 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -67.55 -36.41 80.91 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 111.999 0.37 . . . . 50.0 111.999 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.27 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.428 -0.795 . . . . 50.0 110.186 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -69.61 -41.97 75.01 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.24 2.44 8.51 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.898 1.814 . . . . 50.0 115.898 -172.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.4 -175.27 54.84 Favored Glycine 0 C--O 1.242 0.623 0 C-N-CA 120.539 -0.839 . . . . 50.0 114.87 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.08 -5.5 17.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 121.862 1.708 . . . . 50.0 114.748 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.44 -6.4 53.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.582 . . . . 50.0 112.538 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -117.47 -36.11 3.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.763 -0.653 . . . . 50.0 112.6 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.39 130.89 24.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.53 158.32 14.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 117.152 -1.432 . . . . 50.0 112.137 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.28 -23.33 32.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.708 -0.62 . . . . 50.0 111.426 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -72.3 -21.23 61.37 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.53 -0.731 . . . . 25.0 111.231 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.21 86.85 Favored 'General case' 0 C--O 1.218 -0.583 0 C-N-CA 119.684 -0.806 . . . . 25.0 109.015 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -71.67 -32.1 67.5 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.011 0.434 . . . . 50.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.1 t -69.21 -46.98 66.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.77 -44.43 96.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.272 -0.64 . . . . 50.0 109.272 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -59.51 -40.48 87.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.297 0.48 . . . . 50.0 112.297 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.45 -31.39 72.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 50.0 110.819 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.587 0.708 . . . . 50.0 109.745 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.72 -30.67 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.5 -46.13 89.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.89 -0.506 . . . . 50.0 110.004 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.2 -26.76 60.45 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.853 -0.739 . . . . 50.0 110.54 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.46 -40.89 89.63 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.043 -0.411 . . . . 50.0 111.437 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.9 mt -75.75 -41.72 40.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.27 -35.69 77.99 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.112 0.482 . . . . 50.0 109.862 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -112.15 38.9 2.56 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.474 0.654 . . . . 50.0 112.481 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -62.99 -21.59 66.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.288 -0.869 . . . . 50.0 109.721 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.89 0.876 . . . . 50.0 113.244 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -114.19 9.07 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.657 0.741 . . . . 50.0 110.346 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -123.87 78.76 57.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 50.0 110.285 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.39 -17.79 54.22 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 116.746 -1.703 . . . . 50.0 113.141 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.8 -44.57 92.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.939 -0.763 . . . . 50.0 108.939 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.88 -25.22 6.97 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.18 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.575 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.48 -38.74 88.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.861 -0.524 . . . . 50.0 110.268 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.29 68.33 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.862 -0.524 . . . . 25.0 110.573 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.81 -29.98 50.94 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.58 -49.83 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.24 86.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.845 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.7 -35.62 81.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.661 0.985 . . . . 50.0 113.661 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.4 m -63.34 -40.75 98.17 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.22 -40.27 95.56 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.211 -0.596 . . . . 50.0 112.091 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.45 -45.65 91.0 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 50.0 109.843 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.43 -41.11 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.459 -0.791 . . . . 50.0 109.735 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.69 -38.97 90.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.088 -0.383 . . . . 50.0 111.813 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -72.71 -20.88 61.13 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.646 0.26 . . . . 50.0 111.685 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 t -83.42 -16.35 46.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.539 0.685 . . . . 50.0 109.844 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -103.55 -163.64 1.0 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.223 -1.028 . . . . 50.0 108.223 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.0 p 58.63 2.29 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 117.658 2.466 . . . . 50.0 117.658 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -75.98 3.47 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.083 0.772 . . . . 50.0 113.083 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 p -101.52 119.84 39.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 110.751 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.79 131.0 35.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.304 -0.999 . . . . 50.0 108.304 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -157.72 159.29 36.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.61 84.11 4.74 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.83 0.824 . . . . 50.0 109.479 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -73.02 77.71 1.19 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -143.4 134.82 26.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.08 -0.964 . . . . 25.0 108.88 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.44 134.29 54.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.231 -0.285 . . . . 25.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -149.08 93.09 2.04 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 57.46 18.32 4.42 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.607 0.718 . . . . 25.0 111.917 -176.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 CA--C 1.507 -0.691 1 N-CA-C 98.668 -4.567 . . . . 25.0 98.668 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.33 0 N-CA-C 111.126 -0.789 . . . . 50.0 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.79 -35.66 81.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.032 0.444 . . . . 50.0 110.722 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.37 -40.95 81.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.318 0.58 . . . . 50.0 109.896 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.9 -37.07 86.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.3 65.26 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -89.35 -20.85 23.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.152 0.501 . . . . 50.0 110.77 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 90.0 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -50.37 -36.34 32.07 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.065 1.506 . . . . 50.0 115.065 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -65.38 -29.94 70.71 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.449 -0.782 . . . . 50.0 111.645 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -79.55 -40.45 29.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 50.0 109.18 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.38 -39.83 70.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.093 -0.958 . . . . 50.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -57.3 -45.75 83.84 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.007 0.821 . . . . 50.0 112.634 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -66.96 -37.83 85.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 50.0 109.635 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -29.05 68.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.713 0.635 . . . . 50.0 112.713 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -59.99 -41.8 92.84 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.98 -45.18 59.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.355 -0.838 . . . . 50.0 110.082 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.92 99.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -40.43 96.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.784 -0.821 . . . . 75.0 108.784 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.68 -41.46 75.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.898 0.703 . . . . 50.0 112.898 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 p -65.65 -23.62 66.84 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -73.18 -20.67 60.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.279 -0.569 . . . . 50.0 110.052 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.23 23.99 69.77 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 121.027 -0.606 . . . . 50.0 113.495 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.66 142.27 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.442 0.639 . . . . 50.0 109.914 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -81.23 84.44 6.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.085 -0.507 . . . . 50.0 110.785 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.17 128.62 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.13 140.57 48.91 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.846 -1.539 . . . . 50.0 106.846 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -49.07 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.093 0.775 . . . . 50.0 113.093 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.34 72.57 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.373 -0.376 . . . . 25.0 111.309 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.73 58.35 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 121.185 -0.206 . . . . 50.0 111.113 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.99 -53.06 19.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.53 0.681 . . . . 75.0 109.419 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.56 -20.35 66.29 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.731 0.641 . . . . 50.0 112.731 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -59.44 -40.21 86.06 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.883 -0.511 . . . . 50.0 109.889 173.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -76.51 -23.82 53.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.694 -0.629 . . . . 50.0 111.827 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.79 -30.28 68.82 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.123 -1.066 . . . . 50.0 108.123 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.76 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.127 -0.358 . . . . 50.0 110.067 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.87 -30.67 71.31 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.721 0.296 . . . . 50.0 110.69 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 N-CA-C 108.293 -1.003 . . . . 50.0 108.293 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -64.42 -36.95 85.83 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.687 -0.688 . . . . 50.0 109.595 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.07 -57.44 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 -26.17 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.554 0.692 . . . . 25.0 112.176 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.6 m -127.84 77.34 76.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.44 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.62 -16.02 33.91 Favored 'Trans proline' 0 C--N 1.346 0.422 0 CA-C-O 121.608 0.587 . . . . 50.0 112.384 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -14.09 59.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 50.0 112.041 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -66.72 -52.32 34.53 Favored Pre-proline 0 CA--C 1.543 0.69 0 O-C-N 121.411 -0.805 . . . . 50.0 111.487 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -21.06 37.67 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.608 -3.795 . . . . 50.0 113.837 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.81 -37.56 86.59 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.172 0.189 . . . . 50.0 111.14 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.964 0.411 . . . . 50.0 109.95 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 17.44 49.17 Favored Glycine 0 C--O 1.227 -0.281 0 CA-C-N 116.102 -0.499 . . . . 50.0 113.848 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 m -126.86 122.35 34.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -117.66 102.53 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.738 1.256 . . . . 50.0 109.774 -171.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -141.61 165.59 27.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.246 -2.131 . . . . 50.0 105.246 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.74 -28.26 44.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.512 0.196 . . . . 50.0 110.717 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.92 -37.69 88.32 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.949 -0.469 . . . . 50.0 110.687 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.53 -39.84 44.66 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.874 0.368 . . . . 50.0 110.23 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -64.02 -31.7 72.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.967 0.413 . . . . 50.0 112.106 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.77 -41.82 98.19 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.292 -0.385 . . . . 50.0 110.644 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -57.32 -32.92 67.18 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.264 0.468 . . . . 50.0 112.264 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.54 -40.82 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.471 0.653 . . . . 50.0 109.755 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.06 53.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.431 -0.89 . . . . 50.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.89 -39.93 95.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.42 -46.43 88.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.272 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.5 -39.28 92.99 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -66.24 -44.48 83.61 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.457 -0.097 . . . . 50.0 111.126 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.22 -47.84 80.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.84 -32.27 73.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.769 0.318 . . . . 50.0 111.385 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -67.77 -48.32 66.69 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.733 -0.212 . . . . 50.0 111.069 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.37 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.172 0.511 . . . . 50.0 112.339 -173.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.2 m -56.35 -38.26 71.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.317 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -127.22 -48.11 1.46 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.982 1.845 . . . . 50.0 115.982 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.77 -170.2 24.08 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 109.82 -1.312 . . . . 50.0 109.82 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.82 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.757 1.638 . . . . 50.0 114.45 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -70.73 -28.67 64.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.476 -0.565 . . . . 50.0 109.476 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -89.32 -39.73 13.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.36 0.874 . . . . 50.0 113.36 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.28 130.87 22.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 106.65 -1.611 . . . . 50.0 106.65 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.53 147.46 32.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 115.208 -2.728 . . . . 50.0 112.912 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.57 -22.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.954 -0.466 . . . . 50.0 111.759 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 t -70.04 -23.28 63.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.548 -0.72 . . . . 25.0 111.17 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.17 86.66 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 119.763 -0.775 . . . . 25.0 109.892 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -70.97 -32.95 69.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.343 0.592 . . . . 50.0 110.705 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -66.89 -46.15 75.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.69 -0.856 . . . . 50.0 108.69 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.97 -40.41 91.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.912 -0.586 . . . . 50.0 110.663 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.76 -37.15 75.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.772 0.32 . . . . 50.0 110.938 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -67.96 -24.38 65.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.434 0.531 . . . . 50.0 112.434 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 tt -70.32 -45.19 66.7 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.74 -0.837 . . . . 50.0 108.74 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.69 -29.1 25.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.603 0.716 . . . . 25.0 109.663 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -56.27 -52.13 65.63 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.058 -0.519 . . . . 50.0 110.467 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.21 -30.55 69.65 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.573 0.624 . . . . 50.0 111.238 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.49 -45.31 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 50.0 111.682 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.6 mt -80.31 -39.78 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 50.0 110.634 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.31 -32.33 68.37 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.485 0.314 . . . . 50.0 111.842 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -124.46 35.57 4.78 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.617 0.722 . . . . 50.0 111.886 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -57.77 -34.85 70.01 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.463 -0.789 . . . . 50.0 111.621 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.56 -17.93 64.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.71 1.374 . . . . 50.0 114.71 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.38 9.56 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.327 0.584 . . . . 50.0 110.019 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -134.72 85.69 35.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.229 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.69 -20.25 46.77 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.22 -1.386 . . . . 50.0 114.744 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.57 -43.24 90.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 m -84.91 -28.39 6.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.793 -0.639 . . . . 50.0 110.622 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -37.41 87.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 50.0 110.237 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.0 -33.0 73.53 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.833 0.349 . . . . 25.0 110.191 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.36 -32.65 55.17 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.27 -48.35 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 107.987 -1.116 . . . . 50.0 107.987 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.68 95.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.946 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.24 -37.76 88.51 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.536 -0.465 . . . . 50.0 111.882 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.4 m -63.66 -42.63 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -60.7 -45.06 95.66 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.384 -0.526 . . . . 50.0 110.241 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -65.81 -38.95 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.284 0.476 . . . . 50.0 112.284 -176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.25 -43.04 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.856 -0.794 . . . . 50.0 108.856 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.32 -42.49 92.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.352 . . . . 50.0 110.08 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -67.23 -26.94 66.84 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.96 0.726 . . . . 50.0 112.96 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -84.48 -19.13 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.411 0.893 . . . . 50.0 113.411 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.93 153.42 30.45 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 115.941 1.83 . . . . 50.0 115.941 -167.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.3 p -90.1 2.05 55.69 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.306 -0.861 . . . . 50.0 110.097 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -97.32 19.51 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 m -127.71 147.71 50.4 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.54 138.82 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.84 0.352 . . . . 50.0 111.853 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 120' ' ' HIS . 3.9 mt 58.61 119.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 116.502 2.038 . . . . 75.0 116.502 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.44 -41.24 85.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.76 -1.109 . . . . 50.0 113.507 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 47.2 m80 57.22 -154.9 0.34 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -140.32 71.16 1.37 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.166 -0.959 . . . . 25.0 110.483 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 170.44 13.27 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.795 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -117.9 -44.84 2.7 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.108 0.255 . . . . 25.0 110.434 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -141.03 159.7 41.65 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.242 0.704 0 O-C-N 125.089 1.493 . . . . 25.0 113.026 179.224 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 111.784 -0.526 . . . . 50.0 111.784 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -67.84 -28.41 67.53 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.422 -0.458 . . . . 50.0 112.045 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -73.91 -46.37 44.85 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.84 -0.8 . . . . 50.0 108.84 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -53.81 -35.33 61.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 -17.65 61.85 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.023 1.12 . . . . 50.0 114.023 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -101.32 -17.91 16.32 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.54 0.686 . . . . 50.0 110.665 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -76.3 81.75 3.06 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -49.31 -32.41 11.0 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 115.921 1.822 . . . . 50.0 115.921 -170.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.75 71.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.364 -0.835 . . . . 50.0 111.905 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -78.21 -44.21 26.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.606 -1.257 . . . . 50.0 107.606 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.92 -32.01 51.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-N 114.74 -1.118 . . . . 50.0 111.298 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.98 -46.3 71.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.86 0.755 . . . . 50.0 111.375 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -77.85 -39.69 42.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.384 0.611 . . . . 50.0 110.686 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.51 -24.84 66.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -64.76 -37.02 86.2 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.42 -38.24 35.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.804 -0.634 . . . . 50.0 109.58 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.14 86.45 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.9 -41.49 96.17 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.447 -0.945 . . . . 75.0 108.447 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.75 -49.26 71.48 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.908 -0.587 . . . . 50.0 112.477 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -73.15 -19.54 61.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.116 -0.365 . . . . 25.0 111.863 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.46 HH11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -74.59 -24.37 58.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.389 -0.596 . . . . 50.0 109.389 175.465 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.08 10.85 85.92 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 111.693 -0.563 . . . . 50.0 111.693 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.79 114.62 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.203 1.001 . . . . 50.0 109.046 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -86.21 84.42 7.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 50.0 109.866 -175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.61 158.7 37.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.862 -0.608 . . . . 50.0 109.681 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -77.77 148.59 34.74 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 104.601 -2.37 . . . . 50.0 104.601 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -43.78 84.18 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.771 -0.58 . . . . 50.0 111.692 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.97 74.07 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.127 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -73.2 -45.67 54.93 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.973 -0.38 . . . . 50.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.71 -51.55 67.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.819 0.818 . . . . 75.0 110.137 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.95 -19.89 65.8 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.112 0.782 . . . . 50.0 113.112 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -62.46 -30.71 71.44 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.282 -0.967 . . . . 50.0 110.099 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -76.05 -23.79 55.12 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.271 -0.893 . . . . 50.0 111.543 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -73.99 -17.73 60.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.195 -0.669 . . . . 50.0 109.195 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.94 -35.13 22.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.466 0.651 . . . . 50.0 109.915 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -64.34 -36.89 85.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.623 0.971 . . . . 50.0 113.623 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -35.14 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 122.232 -0.293 . . . . 50.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.44 -39.84 88.95 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.7 -40.89 72.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.108 0.48 . . . . 50.0 111.424 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -73.97 -33.03 63.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.639 0.733 . . . . 25.0 110.123 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.03 76.17 40.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 50.0 112.39 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.45 -11.17 29.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.273 -0.685 . . . . 50.0 112.106 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 -10.82 48.35 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.856 -0.611 . . . . 50.0 112.345 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.2 -48.16 77.28 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 121.443 -0.786 . . . . 50.0 112.026 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.24 -17.71 39.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 113.74 -3.706 . . . . 50.0 113.802 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -71.74 -32.31 67.6 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 110.176 -0.305 . . . . 50.0 110.176 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.09 -25.72 63.65 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.1 13.2 19.19 Favored Glycine 0 C--O 1.223 -0.575 0 N-CA-C 116.769 1.468 . . . . 50.0 116.769 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.717 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 34.2 m -132.3 136.75 47.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.494 0.647 . . . . 25.0 109.789 -171.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.65 111.74 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.713 1.244 . . . . 50.0 108.73 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -149.88 162.64 39.93 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.018 -1.845 . . . . 50.0 106.018 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.19 -29.68 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 116.165 -0.471 . . . . 50.0 110.634 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -65.18 -39.1 92.45 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.509 -0.745 . . . . 50.0 109.708 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.717 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 1.9 mpt_? -70.79 -40.85 72.31 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.451 -0.34 . . . . 50.0 110.173 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -70.33 -32.48 70.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.814 0.672 . . . . 50.0 112.814 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -64.97 -40.6 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.673 -0.642 . . . . 50.0 109.61 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -56.53 -28.39 59.85 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.741 1.015 . . . . 50.0 113.741 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.27 -39.47 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.398 0.618 . . . . 50.0 109.538 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -36.41 77.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.786 -0.926 . . . . 50.0 110.786 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.69 -40.39 96.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.77 95.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 50.0 111.893 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.93 -41.7 98.26 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -67.06 -38.69 86.24 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.999 -0.28 . . . . 50.0 111.009 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.66 -44.52 93.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.895 0.855 . . . . 50.0 110.883 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -31.52 69.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.681 -0.691 . . . . 50.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -68.14 -41.35 81.76 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.862 -0.608 . . . . 50.0 109.804 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.28 -28.73 68.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.85 -0.531 . . . . 50.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.1 m -72.34 -36.78 68.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.25 -13.29 5.6 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.87 1.804 . . . . 50.0 115.87 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.04 -169.31 32.05 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 111.184 -0.766 . . . . 50.0 111.184 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.33 -3.64 13.36 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.624 1.55 . . . . 50.0 115.488 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.29 -22.17 63.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.135 -0.353 . . . . 50.0 110.937 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -101.28 -38.46 8.06 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 114.206 1.187 . . . . 50.0 114.206 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.63 130.95 23.61 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 105.315 -2.106 . . . . 50.0 105.315 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.3 157.84 17.24 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 116.306 -1.996 . . . . 50.0 111.841 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.68 -23.09 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.867 -0.521 . . . . 50.0 111.394 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -71.1 -23.78 62.17 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.654 -0.654 . . . . 25.0 111.319 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.75 84.44 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.859 -0.736 . . . . 25.0 109.953 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.24 -31.11 67.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.425 0.631 . . . . 50.0 110.261 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -70.43 -47.88 58.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.15 -40.14 96.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.009 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -58.35 -39.45 79.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.689 0.28 . . . . 50.0 111.006 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.14 -28.59 68.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.533 -0.303 . . . . 50.0 111.67 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' HG ' HH11 ' A' ' 22' ' ' ARG . 2.6 tt -66.93 -40.32 87.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.185 0.517 . . . . 50.0 110.305 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.36 -30.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 25.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.9 -52.5 64.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.421 -0.354 . . . . 50.0 110.077 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.18 -28.37 67.22 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.288 -0.565 . . . . 50.0 111.054 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.14 -39.88 93.63 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.098 -0.376 . . . . 50.0 111.208 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.2 mt -77.69 -40.81 28.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.786 -0.45 . . . . 50.0 109.786 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -35.3 73.02 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.365 0.602 . . . . 50.0 109.407 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -113.13 34.46 4.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.0 112.112 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -66.0 -19.61 65.92 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.15 0.5 . . . . 50.0 110.318 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.7 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.795 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.91 8.55 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.527 0.68 . . . . 50.0 110.196 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -124.46 79.88 60.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -66.33 -19.64 55.71 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.509 -1.194 . . . . 50.0 114.523 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -65.26 -46.59 79.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 p -79.76 -28.21 12.69 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.306 0 C-N-CA 119.878 -0.729 . . . . 50.0 110.059 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.6 tpt -60.54 -39.41 87.81 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.663 0.665 . . . . 50.0 110.721 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.52 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.312 -0.868 . . . . 25.0 110.645 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 -30.49 46.06 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -47.48 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.93 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.53 -37.1 84.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.346 0.498 . . . . 50.0 112.346 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.06 -42.61 98.81 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.65 -38.57 78.41 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.469 0.544 . . . . 50.0 112.469 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.7 -44.52 93.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.771 0.795 . . . . 50.0 109.403 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.76 -34.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 50.0 109.996 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.31 -35.94 80.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.961 -0.462 . . . . 50.0 111.367 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -73.71 -26.21 60.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 120.495 -0.482 . . . . 50.0 110.547 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -83.52 -12.21 56.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.544 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.33 153.6 20.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.49 -0.777 . . . . 50.0 110.547 -176.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 t 69.05 157.36 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.449 1.1 . . . . 50.0 112.338 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -118.51 38.3 3.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.154 -2.165 . . . . 50.0 105.154 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.7 p 52.58 26.47 4.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 123.277 1.513 . . . . 25.0 113.846 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -80.4 50.75 1.32 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 112.131 -2.304 . . . . 50.0 109.652 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.2 mt -67.54 130.14 42.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.338 1.066 . . . . 50.0 109.32 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.06 166.92 21.62 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.122 -1.399 . . . . 50.0 110.872 -170.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.48 107.08 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.246 0.546 . . . . 25.0 110.629 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -120.72 149.95 41.72 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 112.113 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 49.07 39.13 14.32 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -124.14 150.99 44.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -140.03 -78.93 0.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 p80 . . . . . 0 C--O 1.24 0.589 0 N-CA-C 101.48 -3.526 . . . . 25.0 101.48 160.735 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.207 0 N-CA-C 110.182 -1.167 . . . . 50.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.17 -35.6 80.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.331 -0.511 . . . . 50.0 110.248 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -33.99 74.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.849 -0.426 . . . . 50.0 109.849 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.97 -37.19 85.36 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 50.0 109.978 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -71.61 -17.01 62.3 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.835 0.68 . . . . 50.0 112.835 175.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -95.73 -21.29 18.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 50.0 109.888 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -82.24 100.77 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.26 -40.61 64.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.816 0.673 . . . . 50.0 112.816 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -40.84 93.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.989 0.423 . . . . 50.0 111.735 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.34 -45.03 61.69 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.402 -0.592 . . . . 50.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.88 -41.43 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.842 -0.617 . . . . 50.0 111.128 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.28 -43.14 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.126 0.417 . . . . 50.0 112.126 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -37.93 57.81 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -23.49 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.16 0.43 . . . . 50.0 112.16 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.63 -40.54 72.29 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.16 -0.681 . . . . 50.0 109.16 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.76 -34.58 30.34 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 121.004 -0.278 . . . . 50.0 111.353 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.87 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.34 -41.15 98.85 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.491 -0.559 . . . . 50.0 109.491 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -68.5 -42.4 78.65 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.483 0.919 . . . . 50.0 113.483 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 t -69.79 -15.88 63.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.752 0.31 . . . . 25.0 111.463 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -21.52 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.277 -0.264 . . . . 50.0 110.764 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -2.86 71.17 Favored Glycine 0 C--O 1.235 0.217 0 CA-C-O 121.399 0.444 . . . . 50.0 112.263 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.01 124.53 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.532 -0.914 . . . . 50.0 108.532 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -85.85 84.4 7.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.87 148.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.175 0.512 . . . . 50.0 109.981 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.31 136.85 44.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 106.073 -1.825 . . . . 50.0 106.073 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -48.75 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 50.0 111.52 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.12 75.39 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.045 -0.525 . . . . 25.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.35 -40.87 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.281 -0.168 . . . . 50.0 110.754 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.46 -52.77 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.429 0.633 . . . . 50.0 109.551 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.71 -22.59 66.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.944 0.72 . . . . 50.0 112.944 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -30.25 71.36 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.893 -0.504 . . . . 50.0 110.566 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.65 -27.06 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.77 -0.581 . . . . 50.0 111.556 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -73.68 -27.75 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.222 -0.591 . . . . 50.0 110.143 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.25 -21.44 56.35 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.854 0.359 . . . . 50.0 110.35 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.62 -37.4 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.714 0.292 . . . . 50.0 110.877 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -26.77 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.934 -0.479 . . . . 50.0 110.336 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.68 -39.44 91.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.588 . . . . 50.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.44 -52.37 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.442 -0.799 . . . . 50.0 111.226 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -73.09 -25.85 61.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.56 76.16 78.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 113.166 0.802 . . . . 50.0 113.166 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.0 -14.64 32.29 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 CA-C-O 121.684 0.618 . . . . 50.0 112.295 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -13.02 54.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.599 . . . . 50.0 112.059 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -65.65 -51.15 51.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 121.569 -0.707 . . . . 50.0 111.374 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -70.38 -20.67 31.6 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 113.962 -3.559 . . . . 50.0 113.784 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -66.14 -43.54 86.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.93 -37.12 85.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.728 -1.212 . . . . 50.0 107.728 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.52 33.23 75.76 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-N 116.241 -0.436 . . . . 50.0 113.78 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.423 ' HB ' HH11 ' A' ' 55' ' ' ARG . 88.2 m -129.5 132.14 46.82 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -176.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mm -111.24 107.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 123.218 1.485 . . . . 50.0 110.655 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -155.1 164.49 38.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.529 -1.669 . . . . 50.0 108.033 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.25 -28.63 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.479 -0.328 . . . . 50.0 110.464 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.24 -38.4 86.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.05 0.452 . . . . 50.0 109.891 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.423 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.0 OUTLIER -78.0 -41.15 36.81 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.004 -0.544 . . . . 50.0 110.207 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -64.77 -31.05 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.455 0.539 . . . . 50.0 112.455 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -62.63 -41.67 99.16 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.027 -0.421 . . . . 50.0 111.459 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -56.69 -31.36 64.39 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.762 0.653 . . . . 50.0 112.762 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -39.42 82.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.484 0.659 . . . . 50.0 109.662 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.53 -35.83 62.77 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.466 -0.873 . . . . 50.0 110.959 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -62.63 -39.41 93.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -45.0 92.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 50.0 111.635 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -64.04 -37.63 88.15 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.306 -0.558 . . . . 50.0 109.731 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -64.31 -42.4 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.511 0.196 . . . . 50.0 110.668 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.55 -47.57 75.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.879 0.847 . . . . 50.0 110.31 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -37.3 80.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.351 -0.84 . . . . 50.0 110.016 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.66 -39.6 73.51 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.865 -0.607 . . . . 50.0 112.421 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -32.95 70.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.261 -0.899 . . . . 50.0 110.189 -177.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 m -66.19 -41.21 90.52 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -125.75 1.9 7.46 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.427 2.01 . . . . 50.0 116.427 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.29 -173.76 55.13 Favored Glycine 0 C--O 1.244 0.725 0 O-C-N 121.721 -0.612 . . . . 50.0 114.472 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.09 -9.69 26.05 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.777 1.652 . . . . 50.0 113.736 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.76 -19.63 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 50.0 110.41 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -106.84 -44.48 4.42 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.48 130.87 24.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.988 -1.856 . . . . 50.0 105.988 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -82.05 152.05 16.37 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 115.055 -2.83 . . . . 50.0 112.831 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.35 -20.75 27.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.856 -0.527 . . . . 50.0 111.443 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.0 t -70.97 -23.58 62.24 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.533 -0.73 . . . . 25.0 111.061 176.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.06 86.34 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 119.865 -0.734 . . . . 25.0 109.309 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.91 -32.94 67.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 50.0 110.68 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -46.3 73.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.61 -43.5 93.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.897 -0.592 . . . . 50.0 109.891 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -56.57 -38.29 71.76 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.237 -0.289 . . . . 50.0 111.033 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -69.2 -32.01 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 50.0 111.854 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.56 -41.92 98.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.77 -30.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 121.879 -0.513 . . . . 25.0 110.047 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -56.07 -49.92 72.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.881 -0.512 . . . . 50.0 109.973 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.98 -28.47 64.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.068 -0.653 . . . . 50.0 111.15 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.88 -43.46 88.26 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.173 -0.329 . . . . 50.0 110.967 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.91 -39.3 37.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 120.851 0.358 . . . . 50.0 110.3 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.06 -35.7 79.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.82 38.9 2.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.86 -0.609 . . . . 50.0 111.418 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -59.3 -24.28 63.15 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.008 0.432 . . . . 50.0 111.682 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.89 -42.37 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.747 0.819 . . . . 50.0 112.824 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.3 9.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.351 0.596 . . . . 50.0 110.784 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -124.6 77.87 63.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -66.92 -18.17 52.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.17 -1.42 . . . . 50.0 114.509 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -67.59 -48.5 66.66 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 107.654 -1.239 . . . . 50.0 107.654 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -26.0 21.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 C-N-CA 120.142 -0.623 . . . . 50.0 110.366 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -37.2 86.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 50.0 109.697 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.86 -28.85 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 25.0 110.285 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.36 -28.39 47.12 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.861 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.72 -53.26 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 107.673 -1.232 . . . . 50.0 107.673 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.73 87.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.038 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.41 -38.84 92.69 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.526 -0.47 . . . . 50.0 111.725 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.1 m -67.19 -42.78 83.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.99 -43.68 91.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.384 -0.198 . . . . 50.0 110.972 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.53 -40.86 98.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.245 -0.284 . . . . 50.0 111.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.32 -41.56 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.601 -0.518 . . . . 50.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.31 -37.74 88.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.118 -0.364 . . . . 50.0 110.816 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -79.04 -20.04 49.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.897 0.702 . . . . 50.0 112.897 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.3 t -69.75 -25.18 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.125 -0.695 . . . . 50.0 109.125 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -85.47 138.61 32.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.094 -1.076 . . . . 50.0 108.094 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 t -150.64 160.51 43.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.715 -0.846 . . . . 50.0 108.715 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -83.15 76.72 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.993 -1.854 . . . . 50.0 105.993 173.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.4 p 56.39 -171.6 0.08 Allowed 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.079 1.352 . . . . 25.0 113.678 -173.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -153.36 160.89 42.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.387 -1.338 . . . . 50.0 107.387 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.25 142.82 44.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.028 -1.101 . . . . 50.0 108.028 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.82 71.22 3.35 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 123.14 1.447 . . . . 50.0 112.376 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 24.64 5.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 174.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -123.12 163.74 19.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -131.2 142.33 50.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -66.08 137.56 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.168 -1.419 . . . . 25.0 107.168 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -73.01 173.56 9.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 25.0 110.716 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 C--O 1.258 1.55 1 N-CA-C 99.101 -4.407 . . . . 25.0 99.101 165.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.452 ' H ' ' HA ' ' A' ' 36' ' ' ASP . . . . . . . . 0 C--O 1.234 0.111 0 CA-C-O 120.019 -0.323 . . . . 50.0 113.792 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -62.11 -45.19 94.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.576 0.688 . . . . 50.0 110.886 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.39 -26.08 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.074 -0.65 . . . . 50.0 110.856 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.85 -40.33 94.98 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.018 -0.426 . . . . 50.0 110.698 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -66.6 -15.57 63.55 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.18 0.807 . . . . 50.0 113.18 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.6 -15.82 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.82 0.343 . . . . 50.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -83.63 90.52 7.28 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -48.87 -36.65 17.5 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.315 1.968 . . . . 50.0 116.315 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -60.3 -45.47 93.27 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.06 0.933 . . . . 50.0 110.736 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -70.59 -42.62 70.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.421 -1.263 . . . . 50.0 109.799 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.99 -37.91 50.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.127 -0.942 . . . . 50.0 110.985 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -58.52 -41.81 86.3 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.808 1.186 . . . . 50.0 113.278 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.472 -0.767 . . . . 50.0 110.889 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -29.67 69.93 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.168 0.509 . . . . 50.0 111.023 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.8 -41.79 98.18 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.595 0.758 . . . . 50.0 109.921 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -71.18 -39.04 72.1 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.371 -0.603 . . . . 50.0 109.371 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.32 93.0 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.13 -41.51 98.32 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.888 -0.782 . . . . 50.0 108.888 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -66.6 -43.08 85.79 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.951 0.723 . . . . 50.0 112.951 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 t -73.6 -20.46 60.6 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.529 -0.468 . . . . 25.0 111.345 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -79.04 -25.67 43.2 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.96 11.0 81.31 Favored Glycine 0 C--O 1.238 0.353 0 CA-C-O 121.579 0.544 . . . . 50.0 111.779 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.43 130.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.539 0.685 . . . . 50.0 109.538 -175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -96.77 84.59 3.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 50.0 108.446 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.6 t -144.47 142.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.899 -1.889 . . . . 50.0 105.899 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -65.95 140.58 58.33 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -49.46 68.27 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.959 1.096 . . . . 50.0 113.959 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.12 73.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.696 0.284 . . . . 25.0 111.479 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.62 -38.2 70.83 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.25 -51.74 66.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.766 0.793 . . . . 50.0 108.929 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.08 -20.55 65.83 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.673 -0.694 . . . . 50.0 112.499 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -66.02 -31.67 72.7 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.079 -1.013 . . . . 50.0 110.411 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -77.33 -23.85 50.87 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.291 -0.88 . . . . 50.0 111.456 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.82 -30.08 68.55 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.598 -1.26 . . . . 50.0 107.598 170.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' HA ' ' H ' ' A' ' 2' ' ' GLY . 12.2 t70 -73.95 -33.59 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.264 0.554 . . . . 50.0 111.434 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -63.69 -24.41 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 50.0 111.661 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.5 t -58.35 -43.43 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 116.335 -0.393 . . . . 50.0 109.951 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.14 -36.3 82.78 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.655 -0.818 . . . . 50.0 109.342 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.63 -55.78 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -29.09 45.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -130.01 68.31 80.72 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.36 -0.382 . . . . 50.0 110.912 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.71 -14.57 36.42 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.799 1.038 . . . . 50.0 114.799 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -9.66 57.88 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -69.88 -52.84 12.61 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.531 -0.731 . . . . 50.0 111.379 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.03 -15.06 35.96 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 114.573 -3.151 . . . . 50.0 114.205 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -61.85 -37.4 84.38 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.955 0.407 . . . . 50.0 110.73 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -75.48 -24.92 56.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 50.0 110.747 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.98 27.03 59.13 Favored Glycine 0 C--O 1.228 -0.232 0 CA-C-N 115.684 -0.689 . . . . 50.0 114.41 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.8 m -128.99 129.02 44.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.17 90.61 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 123.644 1.687 . . . . 50.0 110.109 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -124.57 158.69 32.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 104.549 -2.389 . . . . 50.0 104.549 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 tp -62.61 -30.09 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 112.035 0.383 . . . . 50.0 112.035 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -67.65 -32.99 74.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.76 -0.587 . . . . 50.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -81.18 -32.12 33.71 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -64.47 -27.29 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.042 0.386 . . . . 50.0 112.042 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -53.98 -44.8 71.1 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -53.72 -32.97 54.02 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 113.968 1.099 . . . . 50.0 113.968 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.74 -39.24 77.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 -176.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.86 -35.18 51.21 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.213 -1.155 . . . . 50.0 110.213 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.07 -39.12 91.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -45.78 90.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 50.0 111.348 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.26 -38.51 91.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.971 -0.752 . . . . 50.0 108.971 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.17 -38.35 78.66 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 111.668 0.248 . . . . 50.0 111.668 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.03 -41.56 81.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.905 0.859 . . . . 50.0 110.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.04 -36.91 85.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.608 -0.886 . . . . 50.0 108.608 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.82 -37.75 82.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.155 -0.475 . . . . 50.0 110.456 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.96 -31.53 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 50.0 110.108 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.0 m -69.44 -46.91 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.19 1.04 6.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.236 2.31 . . . . 50.0 117.236 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.69 -170.29 51.61 Favored Glycine 0 C--O 1.242 0.625 0 C-N-CA 120.63 -0.795 . . . . 50.0 114.336 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.66 -7.16 20.62 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.162 1.908 . . . . 50.0 115.659 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.53 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.218 -0.301 . . . . 50.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -110.0 -37.69 5.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.611 0.597 . . . . 50.0 112.611 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.62 131.15 24.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 106.085 -1.82 . . . . 50.0 106.085 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.46 152.75 26.75 Favored 'Trans proline' 0 CA--C 1.517 -0.367 0 C-N-CA 115.339 -2.64 . . . . 50.0 111.699 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.9 -20.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 121.831 -0.543 . . . . 50.0 110.644 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -73.14 -20.34 60.94 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.776 -0.578 . . . . 25.0 111.385 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.09 80.41 Favored 'General case' 0 C--O 1.221 -0.398 0 O-C-N 121.639 -0.663 . . . . 25.0 109.413 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -73.42 -30.35 63.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 50.0 111.08 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -71.09 -44.62 65.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.483 -0.932 . . . . 50.0 108.483 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.07 -45.36 95.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.539 -0.755 . . . . 50.0 109.618 175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.53 -39.23 79.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.95 0.405 . . . . 50.0 111.77 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -64.67 -29.81 70.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 50.0 111.356 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.94 -40.04 83.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 121.261 0.553 . . . . 50.0 110.442 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.85 -30.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 121.282 -0.887 . . . . 25.0 108.845 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -59.78 -46.86 87.87 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.858 -0.526 . . . . 50.0 110.355 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.17 -31.78 71.57 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.798 0.726 . . . . 50.0 109.846 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.04 -39.67 79.04 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 112.651 0.612 . . . . 50.0 112.651 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.12 -42.33 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.635 0.652 . . . . 50.0 109.646 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.64 -35.19 73.89 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.991 0.424 . . . . 50.0 110.211 -175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -116.63 36.75 4.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.488 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -64.62 -19.04 65.45 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.075 0.464 . . . . 50.0 110.202 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.15 -27.23 66.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.858 1.059 . . . . 50.0 113.858 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.1 m -120.37 11.79 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.293 0.568 . . . . 50.0 110.996 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -124.71 77.92 64.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.039 -1.097 . . . . 50.0 108.039 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.24 -20.46 49.3 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.245 -1.37 . . . . 50.0 115.003 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.04 -44.56 95.54 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.679 -0.86 . . . . 50.0 108.679 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.47 -30.3 7.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-N 115.545 -0.752 . . . . 50.0 110.523 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -40.87 86.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.934 0.788 . . . . 50.0 110.633 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.14 71.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.141 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.03 -30.71 34.81 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.5 -49.3 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.75 96.29 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.268 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.14 -34.4 77.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.831 0.678 . . . . 50.0 112.831 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 m -69.26 -39.0 78.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.94 -37.1 83.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 119.712 -0.185 . . . . 50.0 110.933 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.07 -50.67 63.33 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 50.0 111.37 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.44 -37.17 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.893 -0.594 . . . . 50.0 109.889 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.65 -30.52 71.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.352 0.871 . . . . 50.0 113.352 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.99 -31.15 69.78 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.56 0.618 . . . . 50.0 111.162 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.4 t -83.3 -17.98 40.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.976 -0.557 . . . . 50.0 111.897 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.26 147.57 46.3 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.297 0.851 . . . . 50.0 113.297 -172.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 p -73.13 115.98 13.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.862 -0.608 . . . . 50.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -46.0 -49.84 15.62 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.426 1.269 . . . . 50.0 114.426 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 m 52.36 51.23 16.66 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.914 1.34 . . . . 25.0 109.287 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -111.47 160.92 16.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.575 -1.648 . . . . 50.0 112.053 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.3 mt 63.96 135.81 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 117.944 2.572 . . . . 50.0 117.944 175.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -173.53 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.775 -2.306 . . . . 50.0 104.775 175.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -115.26 50.6 0.97 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.637 0.653 . . . . 25.0 111.156 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -141.92 137.47 31.34 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.218 -0.301 . . . . 25.0 111.47 -174.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 55.33 -138.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 106.986 -1.486 . . . . 25.0 106.986 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.4 m80 49.28 59.01 4.77 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.932 1.086 . . . . 25.0 113.932 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.3 m80 62.53 -140.94 0.41 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.774 . . . . 25.0 111.163 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.296 0 N-CA-C 101.745 -3.428 . . . . 25.0 101.745 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.352 0 CA-C-O 119.739 -0.478 . . . . 50.0 112.497 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.07 -34.69 78.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.739 0.769 . . . . 50.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -72.29 -35.73 68.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 50.0 109.822 178.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.56 -39.71 84.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.32 0.489 . . . . 50.0 112.32 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -13.55 32.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 169.078 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -98.21 -17.52 18.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.703 0.763 . . . . 50.0 109.562 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -86.24 96.73 10.04 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 107.788 -1.19 . . . . 50.0 107.788 177.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.72 -38.95 57.43 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -176.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -58.4 -37.77 76.0 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.955 -0.466 . . . . 50.0 111.487 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.27 -39.39 54.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.35 0.595 . . . . 50.0 110.209 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.94 -42.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 115.669 -0.696 . . . . 50.0 112.019 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 119.267 0.939 . . . . 50.0 112.316 -178.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.316 0.579 . . . . 50.0 110.041 176.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -30.72 67.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.958 -0.464 . . . . 50.0 112.251 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.6 -40.48 87.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.961 -1.126 . . . . 50.0 107.961 174.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.93 -47.5 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.16 -0.682 . . . . 50.0 109.16 177.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.94 96.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.788 1.032 . . . . 25.0 113.788 -176.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 mp -62.3 -40.85 97.64 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.41 -41.63 72.72 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 p -66.76 -30.69 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.737 0.303 . . . . 25.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -73.08 -25.86 61.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 50.0 110.048 176.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 7.55 73.95 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-O 121.542 0.523 . . . . 50.0 111.814 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.63 133.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 107.648 -1.241 . . . . 50.0 107.648 -175.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -100.72 84.24 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.854 -0.612 . . . . 50.0 109.997 -170.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.22 139.44 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 50.0 106.808 -178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.22 138.07 58.23 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.421 -1.696 . . . . 50.0 106.421 176.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.14 -48.01 74.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 -174.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -35.18 76.01 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.826 0.346 . . . . 25.0 111.37 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -76.39 -28.37 56.69 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.708 -0.223 . . . . 50.0 110.687 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.89 -49.62 56.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.266 -1.383 . . . . 50.0 107.266 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.71 0.633 . . . . 50.0 112.71 178.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.92 -35.04 75.66 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.843 -0.536 . . . . 50.0 110.455 174.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.85 -23.96 52.69 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.463 -0.773 . . . . 50.0 111.354 177.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.66 -19.94 60.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.143 -1.058 . . . . 50.0 108.143 173.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.95 -34.8 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.484 0.659 . . . . 50.0 110.246 177.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.57 -35.27 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 -176.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -35.04 68.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 O-C-N 122.068 -0.395 . . . . 50.0 110.164 178.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.82 -36.59 84.4 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.114 -0.366 . . . . 50.0 111.011 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.43 -53.52 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 50.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -73.88 -29.0 61.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.467 0.651 . . . . 25.0 112.64 -177.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.2 m -120.96 80.23 33.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.303 -0.408 . . . . 50.0 110.054 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.96 -13.37 31.6 Favored 'Trans proline' 0 C--N 1.344 0.318 0 CA-C-O 121.48 0.533 . . . . 50.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.77 -19.95 28.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 50.0 111.916 176.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.35 -46.18 90.1 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 113.043 0.757 . . . . 50.0 113.043 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.99 -21.54 32.28 Favored 'Trans proline' 0 C--N 1.358 1.068 1 C-N-CA 112.8 -4.333 . . . . 50.0 113.662 177.061 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -75.65 -25.93 57.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.407 0.146 . . . . 50.0 111.165 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.1 -26.91 65.16 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.384 -0.598 . . . . 50.0 109.384 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.74 53.92 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.713 0.645 . . . . 50.0 114.713 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -129.37 128.86 43.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.358 0.579 . . . . 25.0 110.211 -174.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.0 mm -113.36 111.36 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 122.902 1.334 . . . . 50.0 109.988 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -155.94 163.07 40.21 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.752 -1.567 . . . . 50.0 107.823 175.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.15 -32.79 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.358 -178.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -67.74 -29.85 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.894 -0.504 . . . . 50.0 109.679 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.36 43.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -61.27 -27.2 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.014 1.116 . . . . 50.0 114.014 -177.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.38 -49.28 67.54 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.013 0.435 . . . . 75.0 109.856 177.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -59.84 -27.59 66.77 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 113.617 0.969 . . . . 50.0 113.617 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.6 -40.1 83.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.46 0.648 . . . . 50.0 109.751 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -34.03 51.02 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.408 -0.901 . . . . 50.0 110.923 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 176.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -43.26 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.639 -0.709 . . . . 50.0 111.882 178.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.72 -35.0 75.24 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -67.97 -45.94 72.79 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.877 -0.329 . . . . 50.0 110.716 -178.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.44 -37.99 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.049 0.452 . . . . 50.0 110.506 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.19 -36.99 82.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -66.72 -39.82 88.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.721 -0.218 . . . . 50.0 110.641 175.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.3 -34.27 77.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.015 -0.428 . . . . 50.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 m -82.19 -42.19 19.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -117.11 2.72 12.67 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.293 1.59 . . . . 50.0 115.293 -172.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.73 -175.26 53.61 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 116.175 1.23 . . . . 50.0 116.175 175.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.71 -13.21 34.48 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.696 1.598 . . . . 50.0 113.384 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.72 -15.22 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 50.0 110.873 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.79 -41.4 4.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 112.112 0.412 . . . . 50.0 112.112 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.09 130.81 24.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 106.927 -1.509 . . . . 50.0 106.927 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.67 154.14 17.86 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 115.764 -2.357 . . . . 50.0 110.655 173.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.44 -20.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 121.453 -0.78 . . . . 50.0 110.889 177.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -75.55 -18.16 59.86 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.663 -0.648 . . . . 25.0 111.651 177.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.54 80.57 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.501 -0.749 . . . . 25.0 109.501 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.79 -31.61 70.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.56 . . . . 50.0 110.751 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -72.86 -45.02 60.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.517 -0.549 . . . . 50.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.51 -45.25 94.99 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.523 -0.918 . . . . 50.0 108.523 175.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -57.55 -38.36 74.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.754 0.311 . . . . 50.0 111.306 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.16 -34.19 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 50.0 110.808 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.96 -46.0 86.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.7 -32.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.52 -44.95 85.49 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 121.57 -0.706 . . . . 50.0 110.578 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.07 -24.57 60.69 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.242 -0.983 . . . . 50.0 110.815 -178.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.13 -38.8 79.03 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.166 -0.333 . . . . 50.0 110.693 177.08 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -78.18 -39.37 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.174 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.65 94.97 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.942 -0.762 . . . . 50.0 108.942 179.365 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -100.99 33.96 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.594 -0.73 . . . . 50.0 112.273 -176.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? -59.38 -26.84 65.45 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.003 0.43 . . . . 50.0 111.027 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -61.23 -33.99 74.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.988 1.107 . . . . 50.0 113.988 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.58 10.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.554 0.692 . . . . 50.0 110.436 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.05 77.83 66.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.19 -20.39 32.86 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 117.28 -1.347 . . . . 50.0 114.377 -176.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -69.2 -38.39 78.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.71 -28.64 6.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 C-N-CA 120.936 -0.306 . . . . 50.0 110.838 178.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -60.38 -40.69 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.214 0.53 . . . . 50.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.02 -27.97 69.48 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.537 -0.727 . . . . 25.0 110.932 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 -30.43 35.7 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 122.123 -0.361 . . . . 25.0 110.529 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.2 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 107.575 -1.269 . . . . 50.0 107.575 175.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.632 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.73 -37.26 85.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.986 0.736 . . . . 50.0 112.986 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.0 m -62.28 -40.87 97.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.493 -0.928 . . . . 25.0 108.493 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -63.41 -43.1 98.48 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.323 -0.551 . . . . 50.0 111.426 176.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.67 -43.36 97.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.348 0.594 . . . . 50.0 110.696 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.79 -43.59 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.79 -0.641 . . . . 50.0 109.494 -178.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.48 -41.64 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.02 -0.425 . . . . 50.0 111.809 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -68.82 -21.41 64.31 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.268 0.47 . . . . 50.0 112.268 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -80.48 -25.08 39.03 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.212 0.53 . . . . 50.0 110.963 177.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -91.43 84.64 5.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.681 0.753 . . . . 50.0 112.359 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 m -62.93 90.82 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.962 -1.017 . . . . 50.0 112.956 175.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -78.69 -23.97 45.3 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.981 -1.118 . . . . 50.0 107.981 175.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -143.36 -179.53 6.47 Favored 'General case' 0 C--N 1.319 -0.745 1 N-CA-C 99.374 -4.306 . . . . 25.0 99.374 175.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.427 ' CG ' ' HD1' ' A' ' 120' ' ' HIS . 50.1 t0 56.0 48.36 17.95 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.695 -1.594 . . . . 50.0 106.695 -174.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.43 159.45 21.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.47 -1.695 . . . . 50.0 111.184 -173.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 66.07 -24.96 0.1 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.893 2.182 . . . . 50.0 116.893 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.427 ' HD1' ' CG ' ' A' ' 117' ' ' ASP . 3.4 t-160 -39.27 -40.73 0.8 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -134.93 40.63 2.91 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.883 -0.511 . . . . 25.0 111.998 174.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -122.58 -42.52 2.32 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 21.1 t60 55.6 42.54 29.45 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 178.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -82.39 -169.96 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.713 178.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 67.6 m170 . . . . . 0 C--O 1.254 1.31 0 N-CA-C 104.477 -2.416 . . . . 25.0 104.477 171.49 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.287 0 N-CA-C 110.837 -0.905 . . . . 50.0 110.837 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -65.3 -39.96 93.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 177.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.95 -42.83 89.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.343 0.592 . . . . 50.0 110.587 179.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.72 -39.46 77.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 176.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -62.42 -21.21 65.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.984 1.105 . . . . 50.0 113.984 174.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.63 -19.68 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.541 -0.911 . . . . 50.0 108.541 -176.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -85.98 87.53 7.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.398 -0.819 . . . . 50.0 109.156 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -40.5 9.58 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.729 1.381 . . . . 50.0 114.729 -178.312 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.81 -35.91 77.71 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.03 0.752 . . . . 50.0 113.03 178.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -76.27 -38.93 55.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.43 0.633 . . . . 50.0 109.512 176.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.45 -36.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.67 -0.695 . . . . 50.0 109.805 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.9 -42.73 76.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.813 0.672 . . . . 50.0 112.813 178.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -70.24 -39.03 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.815 -0.553 . . . . 50.0 110.237 178.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.83 -23.67 62.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.956 0.724 . . . . 50.0 112.956 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.57 -35.5 76.23 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.862 -1.162 . . . . 50.0 107.862 176.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -78.21 -45.7 22.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.79 81.33 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -175.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.96 -39.82 91.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.947 -1.131 . . . . 75.0 107.947 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.37 -48.43 64.77 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 t -69.94 -23.68 63.23 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -173.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -23.49 48.28 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 175.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.67 15.97 76.6 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.646 -0.981 . . . . 50.0 110.646 -176.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.89 93.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 123.607 1.67 . . . . 50.0 108.254 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.3 84.34 5.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.01 -1.45 . . . . 50.0 110.251 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.49 162.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.027 -1.101 . . . . 50.0 108.027 179.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -69.9 140.44 53.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.016 -1.846 . . . . 50.0 106.016 175.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -48.54 78.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.67 77.56 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.618 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -72.31 -28.37 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.959 -0.386 . . . . 50.0 109.959 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -56.78 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.801 -0.76 . . . . 50.0 109.106 176.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.32 -22.99 55.17 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.58 1.326 . . . . 50.0 114.58 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.53 -37.8 65.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.471 0.653 . . . . 50.0 110.165 174.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -77.24 -23.78 51.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -67.38 -28.25 67.78 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.64 -1.245 . . . . 50.0 107.64 173.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -26.13 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.296 0.57 . . . . 50.0 111.13 178.073 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.68 -40.37 88.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 50.0 111.364 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -33.48 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.765 -0.584 . . . . 50.0 110.582 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.57 71.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -53.47 11.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 -177.159 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.52 -29.25 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.795 0.807 . . . . 25.0 112.096 -178.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.55 77.82 55.1 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.597 -0.728 . . . . 50.0 110.651 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.26 -16.17 35.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 CA-C-O 121.687 0.619 . . . . 50.0 111.959 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 -17.82 58.77 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.835 -0.621 . . . . 50.0 111.961 176.004 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -53.61 27.35 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 121.427 -0.796 . . . . 50.0 111.376 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.48 -20.5 27.21 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.438 -3.908 . . . . 50.0 113.624 175.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.45 -36.19 83.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.031 0.443 . . . . 50.0 110.409 177.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -76.0 -23.53 55.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 50.0 110.847 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.41 24.61 52.71 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 114.636 0.614 . . . . 50.0 114.636 177.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 m -128.32 126.89 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -175.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.5 mt -119.22 101.07 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.919 1.342 . . . . 50.0 110.046 -175.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -141.69 164.26 30.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.422 -2.436 . . . . 50.0 104.422 176.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.5 -28.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.237 -0.185 . . . . 50.0 111.378 -177.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.78 -32.24 73.67 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.442 -0.786 . . . . 50.0 109.956 175.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -78.89 -41.47 29.63 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -68.91 -32.01 71.33 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -177.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -63.11 -39.44 94.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.36 -0.837 . . . . 50.0 110.516 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -57.76 -27.82 63.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.62 -39.47 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.559 0.695 . . . . 50.0 109.417 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.03 -35.02 58.05 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.674 -0.971 . . . . 50.0 110.674 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.75 -39.7 92.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.62 -43.83 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.671 . . . . 50.0 111.851 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -62.22 -39.06 91.54 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.319 -0.623 . . . . 50.0 109.319 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.92 -43.04 89.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.22 -0.289 . . . . 50.0 110.22 -177.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.47 -44.35 82.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.587 0.708 . . . . 50.0 111.236 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.14 -34.7 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.178 0.513 . . . . 50.0 109.987 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.58 -38.32 80.58 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.382 -0.372 . . . . 50.0 110.223 177.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -67.47 -33.39 75.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.51 . . . . 50.0 109.756 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.5 m -71.39 -45.97 61.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -178.261 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.55 6.38 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.737 2.495 . . . . 50.0 117.737 -172.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.8 -172.23 55.17 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.869 1.108 . . . . 50.0 115.869 175.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -69.82 -12.36 32.64 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.998 1.799 . . . . 50.0 114.071 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.13 -18.37 63.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.341 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -113.02 -38.55 4.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.751 0.648 . . . . 50.0 112.751 -178.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.0 t -122.38 130.94 24.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 105.584 -2.006 . . . . 50.0 105.584 173.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.23 154.15 24.87 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 114.91 -2.926 . . . . 50.0 111.572 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.9 -21.68 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.71 -0.619 . . . . 50.0 110.849 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.93 -17.79 60.51 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.67 -0.644 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.01 77.36 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 120.226 -0.59 . . . . 25.0 109.627 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -71.03 -30.43 66.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 50.0 111.44 178.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.7 t -73.32 -44.76 58.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.244 -1.021 . . . . 50.0 108.244 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.62 -43.79 98.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 50.0 109.58 175.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -58.68 -37.46 76.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.779 0.323 . . . . 50.0 111.68 -179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.85 -32.36 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.481 -0.327 . . . . 50.0 111.221 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.29 -47.08 77.9 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.408 0.623 . . . . 50.0 110.401 178.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.42 -29.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -59.83 -46.53 88.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.698 -0.626 . . . . 50.0 110.527 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.02 -30.76 68.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.345 0.975 . . . . 50.0 110.227 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.05 -46.57 90.17 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 120.48 0.181 . . . . 50.0 110.922 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.27 -39.9 19.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.552 -0.459 . . . . 50.0 110.944 -178.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.03 -34.8 73.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.161 -0.337 . . . . 50.0 110.34 -176.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -114.52 32.34 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.913 0.338 . . . . 50.0 111.913 178.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.56 -20.07 65.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.381 0.61 . . . . 50.0 109.955 176.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -59.63 -28.39 67.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.093 1.145 . . . . 50.0 114.093 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 m -118.8 10.66 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.334 0.588 . . . . 50.0 110.893 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.99 86.07 58.4 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.191 -0.459 . . . . 50.0 109.993 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -66.47 -21.62 53.0 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 117.034 -1.511 . . . . 50.0 114.374 -177.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -59.91 -46.05 90.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.88 -32.58 7.61 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.541 0 CA-C-N 115.367 -0.833 . . . . 50.0 110.365 -174.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -39.78 90.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.387 0.54 . . . . 50.0 110.486 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.94 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.99 -0.444 . . . . 25.0 110.388 176.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.6 57.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.42 -48.92 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 177.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.59 98.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.97 -38.8 92.55 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.32 -0.552 . . . . 50.0 111.534 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.0 m -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.133 -0.627 . . . . 25.0 109.332 -178.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.49 -47.88 82.64 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.066 -0.654 . . . . 50.0 110.744 178.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.8 -35.33 79.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 -177.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.5 mt -66.87 -40.0 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 176.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.45 -37.46 85.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.943 -0.473 . . . . 50.0 110.705 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.26 -26.49 65.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.785 0.326 . . . . 50.0 111.214 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -83.2 -20.68 34.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.217 0.451 . . . . 50.0 112.217 178.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.28 171.87 14.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 50.0 109.584 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.8 t -137.08 147.14 45.91 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.98 4.63 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.366 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 m 66.3 143.74 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.869 1.268 . . . . 25.0 112.343 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -91.58 136.11 33.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.617 0.723 . . . . 50.0 110.404 -179.31 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.72 168.08 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 104.991 -2.226 . . . . 50.0 104.991 -179.218 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 126.12 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 178.532 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -152.01 36.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -5.93 95.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 116.904 2.187 . . . . 25.0 116.904 -174.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -123.96 135.35 53.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -174.194 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.73 136.28 52.59 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -135.85 -45.85 0.66 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 . . . . . 0 C--N 1.321 -0.654 1 N-CA-C 99.678 -4.193 . . . . 25.0 99.678 168.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.099 0 N-CA-C 112.579 -0.208 . . . . 50.0 112.579 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.29 -37.55 85.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.919 -0.754 . . . . 50.0 110.326 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.91 -40.33 96.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.897 -0.502 . . . . 50.0 110.495 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.82 -19.14 65.68 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.741 1.015 . . . . 50.0 113.741 172.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -92.9 -21.02 20.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 -177.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -88.22 89.74 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.949 -1.13 . . . . 50.0 107.949 177.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.14 -29.29 63.48 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.871 1.434 . . . . 50.0 114.871 -173.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.78 -45.85 81.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.489 0.661 . . . . 50.0 110.312 174.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -69.81 -43.03 72.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.634 . . . . 50.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.83 -42.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 50.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 24.4 tt0 -61.29 -44.09 97.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -177.056 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -39.81 80.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.545 -0.909 . . . . 50.0 108.545 178.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.86 -23.47 67.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -177.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 49.7 mttm -51.34 -36.04 41.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.801 -0.444 . . . . 50.0 109.801 176.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -77.86 -41.64 36.17 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 50.0 111.775 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -31.51 72.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.986 0.422 . . . . 25.0 111.564 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.9 -35.62 78.91 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 174.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? -78.54 -36.33 44.87 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.03 1.122 . . . . 50.0 114.03 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -66.26 -11.74 52.11 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -175.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HE ' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.9 -20.86 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.074 -0.391 . . . . 50.0 110.795 174.503 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.95 13.41 82.6 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.055 -0.593 . . . . 50.0 113.952 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.74 154.91 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.697 -1.594 . . . . 50.0 106.697 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 84.34 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.174 0.511 . . . . 50.0 111.273 -176.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.75 154.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.409 0.623 . . . . 50.0 109.692 176.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -104.67 157.33 17.26 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 107.911 -1.144 . . . . 50.0 107.911 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.18 -44.54 94.98 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.979 -0.451 . . . . 50.0 110.255 173.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.26 68.44 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 120.743 0.306 . . . . 25.0 111.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -76.65 -54.63 6.4 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.109 -0.701 . . . . 50.0 109.109 177.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -49.19 74.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.107 0.78 . . . . 75.0 113.107 -177.325 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.38 -22.14 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.836 -0.54 . . . . 50.0 112.182 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.04 -35.34 73.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.316 -0.553 . . . . 50.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.41 -23.78 54.03 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.533 -0.73 . . . . 50.0 111.88 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -75.42 -26.98 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.763 -0.585 . . . . 50.0 110.336 170.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.76 -33.98 73.16 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.172 -1.047 . . . . 50.0 108.172 172.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.65 -30.92 70.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.684 -0.235 . . . . 50.0 110.963 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.65 -46.7 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.215 0 N-CA-C 107.461 -1.311 . . . . 50.0 107.461 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -62.22 -41.55 98.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.746 -0.661 . . . . 50.0 109.89 -173.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.32 -49.71 68.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 50.0 111.879 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -78.08 -29.15 48.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.505 0.669 . . . . 25.0 112.18 -176.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.09 75.62 78.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 122.8 0.44 . . . . 50.0 111.355 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.06 -15.18 32.3 Favored 'Trans proline' 0 C--N 1.343 0.281 0 CA-C-O 121.54 0.558 . . . . 50.0 112.47 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.88 -15.76 52.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.772 -0.649 . . . . 50.0 112.101 176.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -64.99 -52.65 47.73 Favored Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 121.46 -0.775 . . . . 50.0 111.09 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -70.0 -21.17 32.74 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 113.496 -3.87 . . . . 50.0 113.619 177.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.79 -38.78 89.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.608 0.242 . . . . 50.0 111.279 178.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 55' ' ' ARG . 38.1 mt-10 -77.87 -15.2 59.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.194 -0.316 . . . . 50.0 110.744 178.233 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.48 23.02 40.81 Favored Glycine 0 C--O 1.225 -0.462 0 N-CA-C 117.383 1.713 . . . . 50.0 117.383 171.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 m -127.19 133.18 50.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.881 0.84 . . . . 25.0 109.87 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.98 107.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 122.261 1.029 . . . . 50.0 111.134 -173.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.2 162.08 40.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.977 -1.86 . . . . 50.0 105.977 176.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.72 -31.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 112.757 0.651 . . . . 50.0 112.757 -178.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -66.18 -29.48 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.588 -0.695 . . . . 50.0 109.561 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 48' ' ' GLU . 32.9 mtt-85 -85.09 -38.46 19.08 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.597 -0.274 . . . . 50.0 111.371 176.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -64.24 -30.5 71.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.878 0.371 . . . . 50.0 111.379 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -59.87 -43.12 94.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.13 -0.356 . . . . 50.0 110.952 177.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.95 -29.22 65.01 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.879 1.066 . . . . 50.0 113.879 175.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.8 -38.08 80.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.82 -34.33 53.41 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.044 -0.822 . . . . 50.0 111.044 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.59 -39.37 93.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 176.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.44 95.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.554 178.033 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.27 -34.89 79.15 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.348 -0.541 . . . . 50.0 109.922 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -69.42 -37.59 77.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.803 0.335 . . . . 50.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.89 -47.42 74.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 50.0 109.632 178.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.76 -32.62 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 50.0 110.834 179.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.32 -42.76 78.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.184 177.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -66.08 -24.22 66.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.994 0.738 . . . . 50.0 112.994 -172.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 m -58.05 -41.21 82.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.356 -178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.22 -44.67 1.57 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.392 1.627 . . . . 50.0 115.392 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.99 -163.86 24.79 Favored Glycine 0 C--O 1.24 0.508 0 N-CA-C 111.826 -0.51 . . . . 50.0 111.826 -174.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.93 -10.81 29.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.366 1.377 . . . . 50.0 114.33 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.64 -20.56 59.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.25 0.548 . . . . 50.0 110.121 176.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.74 -44.76 7.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.231 -0.44 . . . . 50.0 112.006 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.33 130.84 23.66 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 105.4 -2.074 . . . . 50.0 105.4 175.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.83 153.31 29.38 Favored 'Trans proline' 0 CA--C 1.514 -0.477 0 C-N-CA 114.889 -2.941 . . . . 50.0 112.334 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.59 -21.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.812 -0.555 . . . . 50.0 111.46 177.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -71.05 -21.8 62.21 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.473 -0.767 . . . . 25.0 110.797 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.06 82.58 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 119.775 -0.77 . . . . 25.0 109.543 177.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -74.67 -29.05 61.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.867 0.365 . . . . 50.0 110.848 177.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.5 t -70.7 -44.67 66.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.79 -42.64 97.69 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.726 -0.67 . . . . 50.0 109.797 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -58.99 -38.65 79.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.073 -0.392 . . . . 50.0 111.324 178.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -66.45 -28.72 68.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 50.0 111.368 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.508 HD11 ' HE ' ' A' ' 22' ' ' ARG . 37.0 tp -64.6 -47.92 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 121.198 0.523 . . . . 50.0 110.276 176.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.55 -29.59 27.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 120.943 -1.098 . . . . 25.0 108.563 -178.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -59.4 -51.34 70.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 176.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -69.44 -30.34 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 50.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.68 -43.77 79.39 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 112.465 0.543 . . . . 50.0 112.465 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.61 -39.3 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.05 -27.54 68.96 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.106 0.479 . . . . 50.0 110.558 -178.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -123.64 36.28 4.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.413 177.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.55 -16.75 64.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.164 0.507 . . . . 50.0 111.975 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.85 -32.75 74.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.567 -0.742 . . . . 50.0 111.614 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.61 8.51 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.574 -0.739 . . . . 50.0 110.758 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -123.83 80.63 56.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 177.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.51 -20.98 53.64 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 117.141 -1.439 . . . . 50.0 114.683 -174.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -65.22 -49.05 71.16 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.464 -0.939 . . . . 50.0 108.464 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.7 -30.47 29.11 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 118.776 -1.169 . . . . 50.0 110.308 -176.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -40.67 91.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.642 0.655 . . . . 50.0 110.218 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 25.0 110.381 176.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.68 48.58 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.52 -47.96 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 107.551 -1.277 . . . . 50.0 107.551 177.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.81 73.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.458 179.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.71 -37.41 86.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.045 0.758 . . . . 50.0 113.045 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 m -67.92 -39.08 83.61 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.4 -40.25 96.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.044 -0.662 . . . . 50.0 110.942 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.22 -45.71 92.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.123 0.487 . . . . 50.0 109.824 178.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.31 -40.39 82.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.832 -177.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.72 -38.44 91.14 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.015 -0.428 . . . . 50.0 110.984 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -77.27 -34.18 55.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.634 0.605 . . . . 50.0 112.634 -178.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t -83.44 -49.43 9.31 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 50.99 -160.6 0.08 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.388 -1.278 . . . . 50.0 112.207 -170.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.6 t -157.76 175.71 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.195 -1.039 . . . . 50.0 108.195 178.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -85.01 53.6 2.8 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.482 0.658 . . . . 50.0 111.223 179.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 m 50.44 61.11 3.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.34 89.13 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.177 1.177 . . . . 50.0 114.177 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -112.22 -179.32 3.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.188 -1.042 . . . . 50.0 108.188 177.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 45.99 50.83 11.24 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.935 0.717 . . . . 50.0 112.935 175.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.03 130.54 47.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 107.748 -1.205 . . . . 25.0 107.748 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 136.29 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.246 1.202 . . . . 25.0 114.246 -167.532 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 65.93 -179.71 0.2 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.342 1.057 . . . . 25.0 110.096 178.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 61.89 -177.46 0.13 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 -171.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -166.33 -43.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 174.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 100.981 -3.711 . . . . 25.0 100.981 165.078 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.293 0 N-CA-C 116.977 1.551 . . . . 50.0 116.977 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.31 -27.47 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.661 1.231 . . . . 50.0 113.325 -178.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.26 -31.11 60.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 177.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.99 -35.59 80.98 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.168 -0.333 . . . . 50.0 111.085 -176.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -18.17 57.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.142 1.534 . . . . 50.0 115.142 173.317 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.47 -18.04 18.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 50.0 110.495 -178.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -82.03 92.47 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.114 -0.493 . . . . 50.0 110.69 -176.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.02 -39.01 65.75 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 113.203 0.816 . . . . 50.0 113.203 -173.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -56.25 -33.33 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -88.21 -40.3 13.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.51 . . . . 50.0 110.278 178.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.5 t -58.36 -32.47 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.767 176.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.96 -44.7 67.32 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.357 0.526 . . . . 50.0 111.356 175.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -72.24 -41.07 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.947 -0.301 . . . . 50.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.23 -24.81 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.74 -35.8 77.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 175.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -83.77 -40.5 18.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.454 176.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.78 78.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -175.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.28 -42.49 98.73 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.181 -1.415 . . . . 50.0 107.181 176.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -64.4 -43.91 92.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.749 -1.114 . . . . 50.0 112.068 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -20.02 61.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -175.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.697 -0.483 . . . . 50.0 109.697 173.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.09 19.7 78.61 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.186 -0.53 . . . . 50.0 111.91 -177.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.04 119.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.391 1.091 . . . . 50.0 111.139 -174.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.38 84.41 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.192 -0.913 . . . . 50.0 109.653 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.07 153.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 177.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -69.91 133.59 47.49 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.789 -2.3 . . . . 50.0 104.789 176.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.762 0.282 . . . . 50.0 111.762 -175.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.5 71.25 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.369 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.35 -40.78 64.15 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 110.209 -0.293 . . . . 50.0 110.209 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.1 -50.62 72.97 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.57 -30.6 71.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.584 -0.734 . . . . 50.0 112.736 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -63.65 -28.93 70.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.802 -0.561 . . . . 50.0 111.436 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.0 -24.14 59.54 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.107 -0.996 . . . . 50.0 112.039 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.29 -27.24 62.34 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.536 0.684 . . . . 50.0 109.703 169.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.32 -29.26 61.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.283 0.563 . . . . 50.0 109.592 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -67.76 -36.58 80.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.429 178.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -23.51 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.909 0.385 . . . . 50.0 111.032 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.14 -35.68 79.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 50.0 110.04 -177.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.96 -39.2 66.38 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.692 0.758 . . . . 50.0 110.457 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -32.0 42.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.415 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -136.65 78.67 42.56 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.502 -0.772 . . . . 50.0 112.133 -175.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.87 -17.21 32.71 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 CA-C-O 121.7 0.625 . . . . 50.0 112.305 178.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -10.59 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 50.0 112.213 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -69.14 -53.01 14.55 Favored Pre-proline 0 CA--C 1.545 0.76 0 O-C-N 121.29 -0.881 . . . . 50.0 111.481 178.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.13 -20.96 37.1 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 114.486 -3.209 . . . . 50.0 113.544 176.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -62.59 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.95 0.405 . . . . 50.0 110.177 177.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -73.81 -38.06 64.69 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 50.0 110.078 176.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.95 32.85 67.15 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 116.302 -0.408 . . . . 50.0 112.203 -178.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -120.14 121.37 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 -178.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.1 103.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 123.167 1.461 . . . . 50.0 110.972 -171.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -143.82 167.55 22.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 103.585 -2.746 . . . . 50.0 103.585 175.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.17 -26.69 38.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.069 0.395 . . . . 50.0 111.311 -178.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -67.23 -33.44 75.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.564 -0.71 . . . . 50.0 109.556 175.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -81.57 -25.07 36.12 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.704 0.402 . . . . 50.0 110.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -86.22 -26.82 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.843 0.457 . . . . 50.0 111.819 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -56.75 -48.78 77.05 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.182 0.438 . . . . 50.0 112.182 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -57.68 -23.11 49.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.078 1.14 . . . . 50.0 114.078 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.96 -35.29 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.253 -1.017 . . . . 50.0 108.253 -175.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.23 -36.48 55.86 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.505 -1.038 . . . . 50.0 110.505 178.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.96 -38.46 91.17 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -41.37 96.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 50.0 111.587 176.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.46 -36.61 83.01 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 178.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -67.03 -39.59 87.02 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.989 0.18 . . . . 50.0 110.846 -177.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.75 -32.85 60.14 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.797 -0.761 . . . . 50.0 111.193 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.24 -37.6 87.76 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.083 -1.08 . . . . 50.0 108.083 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -67.68 -36.05 79.98 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.936 -0.574 . . . . 50.0 110.559 176.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.38 -34.5 78.3 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.817 -0.552 . . . . 50.0 109.799 177.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -77.28 -43.73 32.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -123.61 4.72 8.92 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.223 1.934 . . . . 50.0 116.223 -173.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.62 -171.88 51.31 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 115.954 1.142 . . . . 50.0 115.954 176.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.11 -9.65 23.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.518 2.146 . . . . 50.0 115.619 -176.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.14 -26.86 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.686 -0.406 . . . . 50.0 110.984 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -94.82 -39.8 10.07 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.96 -0.296 . . . . 50.0 111.09 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.63 130.92 24.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 106.588 -1.634 . . . . 50.0 106.588 174.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.18 154.6 14.5 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 115.647 -2.435 . . . . 50.0 111.97 177.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.07 -20.8 27.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 121.689 -0.632 . . . . 50.0 110.652 176.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -74.33 -17.35 60.85 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.695 -0.628 . . . . 25.0 111.409 177.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.48 84.01 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.062 -0.655 . . . . 25.0 109.46 178.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.64 -30.12 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.166 0.508 . . . . 50.0 110.789 178.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -74.32 -45.09 49.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -60.41 -48.04 83.49 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 175.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -55.29 -38.95 69.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -67.68 -35.91 79.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.03 -177.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.68 -35.74 81.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.657 -0.701 . . . . 50.0 110.939 -178.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.83 -27.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 176.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -42.53 93.63 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.513 -0.742 . . . . 50.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.794 0.725 . . . . 50.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.08 -40.74 91.07 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.469 -0.145 . . . . 50.0 111.058 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.24 -40.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.748 -0.381 . . . . 50.0 110.163 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.52 -32.48 71.5 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.084 -0.385 . . . . 50.0 110.16 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -112.05 28.97 8.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 177.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -67.81 -18.98 65.02 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.345 0.593 . . . . 50.0 109.599 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.28 -32.14 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.864 -1.062 . . . . 50.0 112.929 176.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.53 7.46 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.586 0.708 . . . . 50.0 110.396 -178.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -124.88 82.62 60.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.865 -0.607 . . . . 50.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.75 -17.62 42.23 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.671 -1.086 . . . . 50.0 113.828 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -65.34 -43.22 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.199 -0.667 . . . . 50.0 109.199 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.71 -28.94 6.75 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 CA-C-N 115.921 -0.581 . . . . 50.0 110.53 179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -60.39 -36.99 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 118.515 0.598 . . . . 50.0 109.937 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.2 71.32 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.062 -0.399 . . . . 25.0 111.244 176.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.88 42.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 178.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.87 -51.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 178.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.64 98.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 25.0 110.177 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -62.18 -39.23 92.01 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.171 -0.612 . . . . 50.0 111.324 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -66.71 -36.47 82.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.529 -0.732 . . . . 25.0 109.628 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -62.1 -41.91 98.68 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.03 -0.419 . . . . 50.0 110.419 175.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -65.61 -45.84 81.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.281 0.563 . . . . 50.0 110.996 177.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 mt -64.3 -39.04 84.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 CA-C-N 116.048 -0.524 . . . . 50.0 111.649 -175.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -37.34 86.01 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.484 -0.486 . . . . 50.0 110.551 -178.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 31.0 mmtp -81.74 -30.44 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 114.635 1.346 . . . . 50.0 114.635 176.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.7 t -80.93 -45.28 16.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.293 0.568 . . . . 50.0 111.581 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 48.3 31.44 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.396 1.479 . . . . 50.0 114.579 -175.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.4 t -81.18 76.86 8.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.613 0.721 . . . . 50.0 109.124 176.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.33 -26.99 69.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.016 -0.993 . . . . 50.0 111.167 -177.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.9 p -90.12 83.29 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.76 0.79 . . . . 25.0 111.429 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -95.95 12.03 31.8 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.347 1.07 . . . . 50.0 109.88 177.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 mt -72.61 134.83 45.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.68 -1.145 . . . . 50.0 109.077 -179.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 120' ' ' HIS . 2.6 tm-20 -156.84 164.36 38.17 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 105.594 -2.002 . . . . 50.0 105.594 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.41 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 16.8 m80 -80.31 21.84 0.58 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.537 0.735 . . . . 25.0 110.978 178.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 127.64 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 25.0 112.065 -174.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -137.92 115.13 10.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.909 -176.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.72 147.24 46.72 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.575 -0.284 . . . . 25.0 110.467 -178.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -134.79 170.1 16.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.738 -1.578 . . . . 25.0 106.738 177.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 . . . . . 0 C--O 1.254 1.312 1 N-CA-C 98.028 -4.804 . . . . 25.0 98.028 170.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.17 0 N-CA-C 113.622 0.209 . . . . 50.0 113.622 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.16 -39.72 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 177.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -75.55 -38.29 59.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.508 -0.769 . . . . 50.0 111.622 -177.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.94 -38.19 87.98 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.818 -0.551 . . . . 50.0 111.25 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -68.77 -15.54 63.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 174.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -93.63 -21.32 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.42 0.628 . . . . 50.0 109.605 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.5 88.38 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 50.0 111.097 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -44.88 -43.76 9.1 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.307 1.595 . . . . 50.0 115.307 -175.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -42.46 99.39 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.736 -0.603 . . . . 50.0 110.583 -177.196 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.27 -44.27 75.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.761 -0.654 . . . . 50.0 109.312 177.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.83 -41.97 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.926 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.467 -0.771 . . . . 50.0 112.707 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -41.29 55.61 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 173.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.0 -23.5 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -52.28 -36.72 53.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 176.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.84 -50.57 12.02 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.678 176.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.7 98.98 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.859 1.429 . . . . 25.0 114.859 -176.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.485 -0.931 . . . . 50.0 108.485 178.152 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -68.73 -39.74 80.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 50.0 112.272 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -23.64 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.081 0.467 . . . . 25.0 112.016 -175.472 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.75 -16.88 58.11 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.905 -0.497 . . . . 50.0 111.392 176.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.69 1.19 61.19 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.956 -0.457 . . . . 50.0 111.956 -176.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -72.88 125.08 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.139 0.971 . . . . 50.0 109.493 -175.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -92.06 84.43 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 50.0 109.665 -176.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 m -133.27 157.48 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.604 . . . . 50.0 109.483 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -83.57 144.02 29.76 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 104.83 -2.285 . . . . 50.0 104.83 176.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -49.74 65.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.16 0.43 . . . . 50.0 112.16 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.65 70.09 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.782 -179.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.56 -36.31 44.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 50.0 110.408 -179.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.79 -53.81 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.434 0.635 . . . . 50.0 109.296 178.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.48 -19.93 65.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 178.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 2.3 pttt -61.41 -29.95 70.26 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.267 -0.895 . . . . 50.0 109.943 175.124 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 61.4 m-85 -80.24 -23.91 40.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.934 -0.479 . . . . 50.0 111.629 176.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.54 -31.91 70.39 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 171.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.07 -28.09 60.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.604 -0.685 . . . . 50.0 110.828 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -68.28 -27.96 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 50.0 110.325 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.44 -47.16 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 107.742 -1.207 . . . . 50.0 107.742 173.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HZ2' ' HB3' ' A' ' 39' ' ' LYS . 3.0 ttpm? -59.79 -45.0 93.67 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.697 -0.683 . . . . 50.0 110.811 -172.206 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -70.73 -26.95 63.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -97.24 -27.42 14.53 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.701 0.762 . . . . 25.0 111.921 -178.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.8 m -128.82 80.35 72.87 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 123.266 0.626 . . . . 50.0 110.779 -177.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.61 -17.22 33.88 Favored 'Trans proline' 0 C--N 1.343 0.258 0 CA-C-O 121.567 0.57 . . . . 50.0 111.984 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -12.31 60.01 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.906 -0.588 . . . . 50.0 112.242 176.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.18 -50.87 14.89 Favored Pre-proline 0 CA--C 1.542 0.653 0 O-C-N 121.081 -1.012 . . . . 50.0 112.511 -178.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.7 -20.6 40.04 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.449 -3.901 . . . . 50.0 112.96 175.008 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.59 -36.84 83.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.627 0.251 . . . . 50.0 110.79 176.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.8 -33.29 68.42 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 175.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.48 -10.34 1.03 Allowed Glycine 0 C--O 1.218 -0.848 0 N-CA-C 117.713 1.845 . . . . 50.0 117.713 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.0 m -99.51 137.13 38.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.208 0.504 . . . . 25.0 110.135 -174.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mm -106.29 113.2 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.62 1.2 . . . . 50.0 109.863 179.169 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.49 157.66 38.71 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.056 -1.461 . . . . 50.0 107.056 175.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.62 -32.05 56.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.289 -0.414 . . . . 50.0 111.056 -176.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -68.2 -30.11 69.12 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.565 -0.454 . . . . 50.0 111.427 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -82.93 -33.91 26.66 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 177.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -62.3 -27.28 68.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.021 -0.536 . . . . 50.0 111.413 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -54.54 -46.81 73.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.316 -0.253 . . . . 50.0 110.316 175.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -54.97 -31.93 61.16 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 113.022 0.749 . . . . 50.0 113.022 -177.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -70.67 -40.75 77.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.286 0.565 . . . . 50.0 109.974 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.38 61.19 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.202 -1.159 . . . . 50.0 110.202 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -62.36 -41.38 98.56 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -42.83 99.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.698 178.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -64.17 -38.55 91.46 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.794 -0.817 . . . . 50.0 108.794 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -67.41 -43.03 82.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.86 -0.155 . . . . 50.0 111.372 -177.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -59.9 -47.57 85.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.15 -37.89 84.56 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 50.0 111.063 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.92 -40.29 96.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.797 0.295 . . . . 50.0 111.797 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -34.74 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.631 -0.668 . . . . 50.0 110.287 -178.662 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 m -69.38 -43.25 73.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.507 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 8.84 6.66 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 117.9 2.555 . . . . 50.0 117.9 -170.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.22 174.55 49.88 Favored Glycine 0 C--O 1.246 0.849 0 N-CA-C 117.674 1.83 . . . . 50.0 117.674 173.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.79 -14.54 39.23 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.733 2.289 . . . . 50.0 114.77 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -74.45 -15.78 60.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.109 -0.369 . . . . 50.0 110.441 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -99.44 -44.0 6.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 178.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.94 130.86 24.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 105.769 -1.937 . . . . 50.0 105.769 174.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.24 153.43 24.46 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.832 -2.979 . . . . 50.0 111.729 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.88 -21.12 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.899 -0.501 . . . . 50.0 110.584 176.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.78 -19.35 61.37 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.626 -0.671 . . . . 25.0 111.34 177.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.79 85.05 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.97 -32.53 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.131 0.491 . . . . 50.0 110.736 177.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -68.29 -45.27 73.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.88 -43.81 97.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 50.0 109.796 175.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -58.09 -39.62 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.351 . . . . 50.0 111.239 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 50.0 111.633 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.68 -41.26 83.95 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 121.442 0.639 . . . . 50.0 110.272 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.25 -29.88 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 178.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.13 -47.04 86.73 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.946 -0.471 . . . . 50.0 110.079 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.95 -29.27 65.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.827 0.74 . . . . 50.0 110.314 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.11 -40.57 90.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.007 -0.277 . . . . 50.0 111.725 177.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.0 mt -78.32 -43.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.294 -0.563 . . . . 50.0 109.872 178.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.78 -31.64 70.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 50.0 111.483 -175.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -117.03 33.87 5.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.53 -0.305 . . . . 50.0 111.171 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -64.71 -22.87 67.08 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.247 0.546 . . . . 50.0 109.858 176.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.66 -35.86 77.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.557 0.947 . . . . 50.0 113.557 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.73 7.19 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.7 0.762 . . . . 50.0 109.527 -178.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -125.23 77.9 67.47 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.583 -0.735 . . . . 50.0 109.042 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.0 -16.95 54.42 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 117.26 -1.36 . . . . 50.0 112.682 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.53 -44.58 90.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.22 -0.659 . . . . 50.0 109.22 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.84 -25.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 120.596 -0.442 . . . . 50.0 111.845 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.04 -36.3 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.103 -0.373 . . . . 50.0 110.539 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.81 77.48 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.475 -0.765 . . . . 25.0 111.212 177.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -31.98 65.11 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.184 -0.323 . . . . 25.0 110.466 178.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.43 -51.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.821 -1.178 . . . . 50.0 107.821 178.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.17 92.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.286 0.565 . . . . 25.0 111.567 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.98 -41.29 97.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.039 -0.413 . . . . 50.0 110.806 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -61.9 -42.42 99.06 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.69 -50.35 68.48 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -77.23 -30.64 54.68 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -177.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.27 -38.31 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.885 -0.783 . . . . 50.0 108.885 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.2 -23.79 65.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.83 1.048 . . . . 50.0 113.83 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.43 -35.29 70.89 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.157 0.503 . . . . 50.0 110.025 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.9 t -83.48 -23.86 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.562 -0.744 . . . . 50.0 112.283 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.15 176.63 9.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.755 -0.657 . . . . 50.0 112.039 -173.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.2 t 57.52 48.23 14.79 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 173.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.35 58.31 1.28 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.137 -0.938 . . . . 50.0 112.746 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 m 52.77 51.27 16.3 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.568 1.175 . . . . 25.0 112.377 178.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -133.58 107.14 7.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.628 -1.169 . . . . 50.0 111.415 -176.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.3 mt -123.84 147.02 47.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.238 -0.437 . . . . 50.0 110.724 -175.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 51.71 29.99 6.33 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 113.688 0.996 . . . . 50.0 113.688 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -7.01 7.95 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -115.47 115.65 26.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 172.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -52.15 129.58 28.04 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.233 0.54 . . . . 25.0 110.119 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.75 30.22 4.11 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -168.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 55.45 67.47 1.01 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 122.277 1.037 . . . . 25.0 109.627 -173.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 60.5 m170 . . . . . 0 C--O 1.261 1.707 1 N-CA-C 98.766 -4.531 . . . . 25.0 98.766 173.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.325 0 N-CA-C 112.12 -0.392 . . . . 50.0 112.12 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -56.69 -39.71 74.3 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 122.234 0.213 . . . . 50.0 110.443 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -85.79 -39.95 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.059 0.457 . . . . 50.0 111.692 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.72 -45.75 85.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.496 -0.32 . . . . 50.0 111.468 -176.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -57.4 -29.91 64.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.882 1.808 . . . . 50.0 115.882 172.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -87.69 -19.27 27.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.331 0.586 . . . . 50.0 110.493 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -82.8 84.8 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -178.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.84 -33.39 56.13 Favored 'General case' 0 C--O 1.208 -1.113 0 N-CA-C 114.373 1.249 . . . . 50.0 114.373 -173.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -62.76 -36.84 84.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.609 1.095 . . . . 50.0 112.361 176.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -70.99 -46.24 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 176.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.38 -39.34 60.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 CA-C-N 115.813 -0.631 . . . . 50.0 110.939 177.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -56.72 -44.79 81.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.452 0.701 . . . . 50.0 111.917 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -37.05 65.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.065 -1.087 . . . . 50.0 108.065 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.42 -23.52 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.414 0.524 . . . . 50.0 112.414 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -56.04 -39.23 71.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 175.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -76.84 -43.86 34.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.257 -0.428 . . . . 50.0 110.744 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.35 87.33 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.059 -1.089 . . . . 75.0 108.059 176.053 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -71.13 -40.8 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 -178.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -68.65 -25.52 64.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.398 0.544 . . . . 25.0 112.327 -177.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -73.09 -21.55 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.607 . . . . 50.0 109.422 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.99 11.29 85.53 Favored Glycine 0 N--CA 1.458 0.102 0 CA-C-N 116.369 -0.378 . . . . 50.0 114.041 174.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -96.88 118.22 42.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 -176.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -79.25 84.51 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.763 -0.653 . . . . 50.0 111.378 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.71 155.98 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.517 -0.92 . . . . 50.0 108.517 175.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -75.7 138.78 41.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 50.0 109.21 -178.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -49.88 71.34 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -178.724 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.74 75.36 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.19 0.519 . . . . 25.0 109.987 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -75.97 -33.88 59.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 -175.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -48.44 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.721 0.772 . . . . 50.0 109.016 176.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.97 -27.37 65.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.798 1.036 . . . . 50.0 113.798 175.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.07 -39.55 92.78 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.338 -0.545 . . . . 50.0 109.787 176.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.46 -23.75 53.86 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.809 -0.557 . . . . 50.0 111.579 178.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -64.6 -23.26 67.21 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 171.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.78 -35.2 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.775 -0.578 . . . . 50.0 111.085 176.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.65 -33.3 74.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 -178.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -39.3 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 121.63 -0.669 . . . . 50.0 109.338 176.661 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -38.99 92.73 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 178.514 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -64.22 -38.43 91.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.923 0.392 . . . . 50.0 111.758 -179.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -87.38 -29.0 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.382 0.611 . . . . 25.0 111.728 -176.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -123.5 80.9 53.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.35 -0.386 . . . . 50.0 111.236 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -70.6 -16.86 34.07 Favored 'Trans proline' 0 C--N 1.344 0.293 0 CA-C-O 121.601 0.584 . . . . 50.0 112.626 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -16.88 52.99 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.016 -0.538 . . . . 50.0 112.251 177.055 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.43 -50.08 15.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.663 . . . . 50.0 112.789 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.05 -20.22 38.48 Favored 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 113.034 -4.177 . . . . 50.0 112.677 176.315 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -31.8 73.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.569 0.348 . . . . 50.0 111.709 177.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.85 -21.73 60.89 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.295 -0.253 . . . . 50.0 110.658 178.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 24.68 53.93 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 113.996 0.359 . . . . 50.0 113.996 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -128.23 124.86 37.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.851 0.325 . . . . 25.0 110.236 -174.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.7 mm -110.44 112.01 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-O 123.064 1.412 . . . . 50.0 109.654 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -156.66 162.54 39.83 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 106.83 -1.544 . . . . 50.0 106.83 175.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.52 -29.15 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 116.554 -0.294 . . . . 50.0 110.45 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -65.01 -34.43 78.41 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.072 -0.393 . . . . 50.0 110.179 179.023 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -37.83 54.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 177.097 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.04 -25.7 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.48 0.548 . . . . 50.0 112.48 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -55.82 -47.02 77.93 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.424 -0.584 . . . . 50.0 109.424 176.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -54.21 -33.77 59.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.609 -0.723 . . . . 50.0 112.808 -178.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.13 -39.92 82.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 50.0 110.013 -176.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.1 -37.19 60.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.257 -1.137 . . . . 50.0 110.257 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.35 -42.23 98.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -45.11 92.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.377 -0.829 . . . . 50.0 112.021 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.38 -40.53 96.77 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.107 -0.637 . . . . 50.0 109.368 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -66.75 -43.84 83.04 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.734 -0.386 . . . . 50.0 111.187 -175.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -66.42 -43.18 86.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.861 0.838 . . . . 50.0 110.986 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.66 -36.57 84.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.596 -0.729 . . . . 50.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -68.59 -38.77 80.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.574 -0.284 . . . . 50.0 110.781 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.84 -36.12 83.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.088 0.471 . . . . 50.0 110.007 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -82.58 -41.88 18.98 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -175.452 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -115.14 0.14 13.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.4 1.63 . . . . 50.0 115.4 -172.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.41 -177.34 51.2 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 116.718 1.447 . . . . 50.0 116.718 174.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.4 -15.94 34.77 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.112 1.875 . . . . 50.0 114.452 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.81 -20.18 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.15 0.5 . . . . 50.0 110.49 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -105.71 -36.45 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.889 0.7 . . . . 50.0 112.889 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.46 130.82 23.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 105.791 -1.929 . . . . 50.0 105.791 173.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.83 153.38 22.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 114.831 -2.979 . . . . 50.0 112.1 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.35 -21.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.866 -0.521 . . . . 50.0 110.766 176.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -74.61 -17.68 60.67 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.725 -0.609 . . . . 25.0 111.207 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.8 -35.7 78.97 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.349 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.44 -33.14 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.173 0.511 . . . . 50.0 111.18 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.7 t -69.68 -44.69 69.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.504 -0.924 . . . . 50.0 108.504 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.67 -43.86 97.73 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.722 -0.672 . . . . 50.0 109.761 176.289 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.86 -37.43 73.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.852 0.358 . . . . 50.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -68.28 -34.84 76.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.316 -0.402 . . . . 50.0 111.411 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -62.56 -40.25 96.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.471 0.653 . . . . 50.0 110.435 178.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.06 -29.9 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.508 -0.745 . . . . 25.0 109.154 178.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -59.81 -45.74 91.42 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.494 -0.754 . . . . 50.0 109.839 178.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.11 -29.31 67.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.526 -0.734 . . . . 50.0 110.149 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.66 -45.62 74.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.106 0.41 . . . . 50.0 112.106 178.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.44 -35.9 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.995 -0.682 . . . . 50.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.87 -39.06 93.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 -178.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -110.87 38.77 2.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.482 0.919 . . . . 50.0 113.482 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -68.29 -17.66 64.33 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.799 -0.637 . . . . 50.0 109.442 171.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.0 -30.02 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 50.0 113.048 177.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.52 9.07 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.438 0.637 . . . . 50.0 110.667 -178.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.25 84.45 59.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.59 -0.892 . . . . 50.0 108.59 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.47 -18.74 54.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 117.585 -1.143 . . . . 50.0 113.968 -176.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -64.84 -54.56 29.13 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.873 -1.158 . . . . 50.0 107.873 176.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.85 -27.15 26.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 C-N-CA 118.973 -1.091 . . . . 50.0 110.597 -175.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -62.71 -36.66 83.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.755 -0.591 . . . . 50.0 109.854 176.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.19 70.45 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.688 -0.633 . . . . 25.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.36 43.46 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.19 -48.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.53 -1.285 . . . . 50.0 107.53 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.51 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.773 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.64 -37.04 84.79 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.43 0.529 . . . . 50.0 112.43 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -41.91 99.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -61.33 -42.79 99.25 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.321 -0.552 . . . . 50.0 111.741 175.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.81 -43.89 97.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.253 0.549 . . . . 50.0 110.42 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.65 -40.34 83.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.97 -0.559 . . . . 50.0 109.968 -178.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.05 -37.88 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.117 -0.364 . . . . 50.0 111.017 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -72.15 -24.38 61.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.826 0.346 . . . . 50.0 111.033 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 t -83.47 -12.99 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.698 0.629 . . . . 50.0 112.698 176.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.54 -168.72 1.45 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.982 0.734 . . . . 50.0 112.982 -173.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.1 t -148.74 157.22 43.29 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.289 0.566 . . . . 50.0 111.752 -175.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -95.95 4.21 52.9 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.807 -0.633 . . . . 50.0 111.572 -179.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.7 p -76.23 160.23 29.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.275 1.583 . . . . 25.0 115.275 -173.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t0 59.52 27.59 16.79 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.97 2.211 . . . . 50.0 116.97 174.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.35 -22.45 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.428 1.585 . . . . 50.0 111.574 175.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.1 63.48 3.7 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 112.357 -2.201 . . . . 50.0 113.915 -174.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -74.85 130.78 40.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.295 -0.866 . . . . 25.0 113.223 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -126.02 -57.52 1.41 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.074 1.879 . . . . 25.0 116.074 -179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.487 ' CG ' ' H ' ' A' ' 123' ' ' HIS . 3.5 t-80 53.81 -153.88 0.26 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.088 0.555 . . . . 25.0 111.791 -177.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.487 ' H ' ' CG ' ' A' ' 122' ' ' HIS . 78.5 t60 -138.82 149.21 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 -179.233 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -80.89 117.68 21.74 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 . . . . . 0 C--O 1.252 1.236 0 CA-C-O 115.851 -2.023 . . . . 25.0 106.325 -171.422 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.313 0 N-CA-C 111.895 -0.482 . . . . 50.0 111.895 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.34 -42.37 99.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.524 -0.398 . . . . 50.0 111.324 179.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -30.03 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.905 -0.718 . . . . 50.0 110.393 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.84 -39.05 93.16 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.035 -0.415 . . . . 50.0 110.871 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -67.25 -15.54 63.76 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.954 1.094 . . . . 50.0 113.954 175.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.07 -13.94 15.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.235 0.541 . . . . 50.0 110.615 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -80.06 85.15 5.68 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.068 -1.456 . . . . 50.0 107.068 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.05 -31.28 29.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 116.06 1.874 . . . . 50.0 116.06 -169.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.235 -0.916 . . . . 50.0 113.294 176.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.53 -39.97 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.948 -1.501 . . . . 50.0 106.948 177.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.6 -36.81 43.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.861 -1.063 . . . . 50.0 109.597 174.279 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.94 -49.03 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 178.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -70.6 -39.6 73.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.813 0.816 . . . . 50.0 110.36 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -23.6 66.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.733 0.642 . . . . 50.0 112.733 -178.067 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -55.59 -38.07 68.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.51 -39.47 27.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.845 -0.616 . . . . 50.0 110.283 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.14 96.39 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.99 -40.44 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 177.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -73.6 -44.07 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 -176.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -65.52 -14.64 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.31 59.18 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.122 -0.361 . . . . 50.0 111.119 177.065 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.18 21.88 78.45 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.025 -0.607 . . . . 50.0 112.112 -177.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -119.34 139.07 47.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -176.478 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -76.92 84.86 3.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 50.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.77 147.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 175.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -104.7 165.09 11.3 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.801 -0.814 . . . . 50.0 108.801 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.33 -48.42 76.79 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.988 0.736 . . . . 50.0 112.988 178.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.82 66.37 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.04 -39.16 17.1 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.605 -0.27 . . . . 50.0 110.944 179.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -74.23 -50.61 18.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.462 0.542 . . . . 75.0 112.462 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.27 -19.98 65.97 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.298 -0.251 . . . . 50.0 111.361 -176.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -52.28 -41.44 62.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.168 0.509 . . . . 50.0 109.934 171.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -78.46 -23.94 46.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -70.59 -30.8 67.58 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.664 -1.235 . . . . 50.0 107.664 173.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 -29.27 45.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 121.141 0.496 . . . . 50.0 110.244 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.43 -35.07 78.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 50.0 111.316 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -26.65 39.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 C-N-CA 120.493 -0.483 . . . . 75.0 110.543 178.607 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -66.14 -35.62 80.97 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 -175.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.68 -53.22 9.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 50.0 111.483 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -28.55 63.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.575 0.702 . . . . 25.0 112.751 -176.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -127.71 78.3 75.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.877 -0.602 . . . . 50.0 109.656 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.97 -14.83 32.49 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.688 0.62 . . . . 50.0 112.162 -178.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -14.59 50.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.325 -0.852 . . . . 50.0 111.907 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.98 -50.13 82.25 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 121.473 -0.767 . . . . 50.0 112.482 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.52 -23.24 27.56 Favored 'Trans proline' 0 C--N 1.356 0.97 1 C-N-CA 112.611 -4.459 . . . . 50.0 113.77 177.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.25 -27.88 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.59 0.218 . . . . 50.0 111.59 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.77 -20.83 65.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.16 -0.311 . . . . 50.0 110.16 176.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.41 46.36 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 116.271 1.268 . . . . 50.0 116.271 173.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.517 ' HB ' HH11 ' A' ' 55' ' ' ARG . 39.8 m -137.45 139.39 40.59 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 -172.381 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.91 118.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.164 0.983 . . . . 50.0 109.418 177.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -154.85 162.87 40.96 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.894 -1.521 . . . . 50.0 106.894 176.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -68.84 -30.15 45.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 116.65 -0.25 . . . . 50.0 111.415 179.451 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.4 -28.78 66.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.269 -0.894 . . . . 50.0 109.312 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.517 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.9 ttm180 -78.33 -43.32 28.13 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 177.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -68.5 -34.17 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.702 1.001 . . . . 50.0 113.702 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -59.8 -42.78 94.19 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.998 -0.439 . . . . 50.0 110.662 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -57.19 -29.47 63.73 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 114.219 1.192 . . . . 50.0 114.219 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -39.74 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.539 0.685 . . . . 50.0 109.178 178.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.33 54.3 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.484 -0.865 . . . . 50.0 111.313 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.33 -38.98 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.279 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.63 -45.66 89.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -36.79 80.95 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 179.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.42 -40.01 81.37 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 120.813 -0.355 . . . . 50.0 111.056 -177.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -72.26 -36.68 69.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.733 0.778 . . . . 50.0 110.85 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.08 -37.57 87.91 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 175.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -68.86 -36.66 78.4 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.932 -0.577 . . . . 50.0 110.877 176.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.86 -34.08 77.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.622 -0.674 . . . . 50.0 109.777 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -71.24 -42.38 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.103 0.779 . . . . 25.0 113.103 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.31 0.26 6.36 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 117.14 2.274 . . . . 50.0 117.14 -172.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 -165.44 53.8 Favored Glycine 0 C--O 1.244 0.775 0 C-N-CA 120.806 -0.711 . . . . 50.0 113.35 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.76 -7.96 22.54 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.14 1.227 . . . . 50.0 114.397 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.91 -7.85 54.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.064 0.394 . . . . 50.0 112.064 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -118.99 -45.46 2.57 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.85 0.315 . . . . 50.0 111.85 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.75 130.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.834 -1.913 . . . . 50.0 105.834 175.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.04 154.02 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 114.969 -2.887 . . . . 50.0 111.477 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -21.24 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.854 -0.529 . . . . 50.0 110.883 177.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.21 -20.33 60.23 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.772 -0.58 . . . . 25.0 111.262 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.74 80.32 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.729 -0.607 . . . . 25.0 109.685 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.12 -30.92 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 50.0 111.549 178.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -73.46 -45.08 56.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.103 -0.703 . . . . 50.0 109.103 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.95 -40.26 97.15 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.897 -0.592 . . . . 50.0 109.785 176.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -64.01 -40.21 95.83 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.194 0.521 . . . . 50.0 110.984 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.31 -26.41 68.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.03 -49.6 75.37 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.57 -30.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.415 0.626 . . . . 25.0 109.854 -178.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.8 -50.47 66.06 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.068 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.15 -23.1 61.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.232 -0.587 . . . . 50.0 111.334 -177.163 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.06 -39.96 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.774 -0.37 . . . . 50.0 110.486 178.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.9 mt -77.37 -38.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 109.245 -0.65 . . . . 50.0 109.245 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.78 -26.08 67.0 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.872 0.367 . . . . 50.0 110.584 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -122.54 31.78 5.99 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.605 0.594 . . . . 50.0 112.605 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -56.83 -30.54 63.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.086 0.772 . . . . 50.0 113.086 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.4 pm0 -68.09 -24.31 65.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -173.794 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.62 10.95 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.16 78.21 75.74 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 121.45 0.643 . . . . 50.0 110.545 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.51 -21.16 40.5 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.413 1.274 . . . . 50.0 115.413 -173.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -65.14 -37.84 88.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.93 -27.53 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 120.346 -0.542 . . . . 50.0 112.009 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.198 0.523 . . . . 50.0 111.437 -175.508 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -26.28 66.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.881 -0.512 . . . . 25.0 110.41 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.32 -30.11 38.14 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 110.094 -0.335 . . . . 25.0 110.094 178.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.51 -48.86 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 107.394 -1.336 . . . . 50.0 107.394 176.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.59 86.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.324 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.65 -36.85 84.15 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.394 -0.522 . . . . 50.0 111.907 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.1 m -63.52 -43.27 97.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -60.75 -38.75 86.25 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.44 -0.504 . . . . 50.0 112.315 175.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -63.17 -48.27 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.699 0.761 . . . . 50.0 110.2 177.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.8 -36.98 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.237 -0.892 . . . . 50.0 110.546 -176.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.99 -25.46 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 -178.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -70.33 -31.36 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 50.0 111.218 176.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -83.62 -23.41 31.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.112 0.482 . . . . 50.0 111.131 176.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.59 176.52 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 -177.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 m 58.96 8.33 0.96 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.641 1.349 . . . . 50.0 114.641 -176.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.05 52.5 2.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.66 0.743 . . . . 50.0 109.685 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.3 m 50.69 44.89 27.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.925 1.345 . . . . 25.0 111.607 -176.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -86.12 132.36 34.05 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.48 -1.236 . . . . 50.0 108.088 178.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.6 mt -122.2 135.32 54.75 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.327 0.584 . . . . 50.0 109.967 -176.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.46 130.74 39.42 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.014 0.911 . . . . 50.0 110.957 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -157.86 113.59 2.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.568 179.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -57.88 128.0 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -178.398 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -138.96 165.83 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 103.346 -2.835 . . . . 25.0 103.346 175.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.04 151.95 27.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.828 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -127.53 8.58 6.46 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.0 m170 . . . . . 0 C--N 1.321 -0.637 1 N-CA-C 97.997 -4.816 . . . . 25.0 97.997 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.46 0 N-CA-C 110.309 -1.117 . . . . 50.0 110.309 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.13 -35.4 80.63 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.935 -0.306 . . . . 50.0 110.553 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.91 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.117 0.485 . . . . 50.0 110.964 -179.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.99 -37.51 87.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.779 -0.576 . . . . 50.0 111.669 178.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.01 -15.66 62.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 173.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -94.66 -21.73 18.6 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.551 0.691 . . . . 50.0 110.37 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -84.26 88.73 7.25 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -50.16 -35.75 27.44 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 114.761 1.393 . . . . 50.0 114.761 -176.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -61.2 -38.82 87.92 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.574 -0.703 . . . . 50.0 111.37 177.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -70.42 -40.74 73.67 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 174.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.76 -39.38 79.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -57.37 -45.7 84.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.748 0.704 . . . . 50.0 111.023 178.242 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -68.18 -44.9 74.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.847 0.832 . . . . 50.0 111.13 177.091 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.75 -26.07 64.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.148 0.795 . . . . 50.0 113.148 -174.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -55.29 -45.21 76.21 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.234 -1.024 . . . . 50.0 108.234 175.119 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -76.57 -38.72 54.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.825 -0.625 . . . . 50.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.33 93.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -178.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -41.58 97.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 176.039 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -72.01 -38.67 69.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.459 0.911 . . . . 50.0 113.459 -175.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 t -70.77 -13.82 62.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.107 0.48 . . . . 25.0 111.645 -176.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -13.53 61.96 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.856 -0.528 . . . . 50.0 110.66 174.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.32 79.54 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 111.333 -0.707 . . . . 50.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.13 156.37 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 -175.156 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -115.9 84.39 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.4 -0.593 . . . . 50.0 109.4 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.47 136.8 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.279 -1.378 . . . . 50.0 107.279 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.88 133.95 48.96 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 107.353 -1.351 . . . . 50.0 107.353 178.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -48.69 38.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.275 0.843 . . . . 50.0 113.275 -178.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.05 80.66 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.85 -34.68 66.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.898 -0.408 . . . . 50.0 109.898 -178.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.35 -54.25 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.185 0.517 . . . . 75.0 110.303 178.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.01 -23.02 66.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.574 0.583 . . . . 50.0 112.574 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -62.07 -38.06 87.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.443 -0.577 . . . . 50.0 109.443 174.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -77.82 -23.8 48.93 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.683 -0.636 . . . . 50.0 112.145 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.34 -33.16 75.31 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 171.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -25.38 53.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.969 -0.457 . . . . 50.0 111.529 178.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -66.57 -42.16 87.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.555 -0.293 . . . . 50.0 110.405 176.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.55 -34.72 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 177.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -41.75 96.55 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 111.357 0.132 . . . . 50.0 111.357 178.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -33.93 38.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.903 -0.719 . . . . 50.0 112.298 -177.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -74.09 -34.29 63.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.58 0.705 . . . . 25.0 110.017 179.098 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.87 80.51 49.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 50.0 110.079 178.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -70.26 -17.08 35.55 Favored 'Trans proline' 0 C--N 1.345 0.345 0 CA-C-O 121.606 0.586 . . . . 50.0 112.632 -178.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -14.57 58.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.573 -0.739 . . . . 50.0 111.857 176.315 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -68.71 -51.52 20.96 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 121.446 -0.784 . . . . 50.0 111.804 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -69.61 -22.83 32.19 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 113.764 -3.691 . . . . 50.0 113.703 175.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -63.74 -36.2 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.652 0.381 . . . . 50.0 111.443 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.54 -18.52 61.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.739 0.304 . . . . 50.0 111.277 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.16 58.29 Favored Glycine 0 C--O 1.218 -0.904 0 N-CA-C 114.678 0.631 . . . . 50.0 114.678 176.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -135.98 133.91 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.096 0.948 . . . . 25.0 110.321 -176.059 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 mm -115.09 114.59 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.579 1.18 . . . . 50.0 109.658 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -154.37 160.37 41.65 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.42 -1.263 . . . . 50.0 109.243 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.15 -31.68 54.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.148 0.425 . . . . 50.0 112.148 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -67.32 -33.36 75.11 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -79.94 -36.97 35.48 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.636 -0.711 . . . . 50.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -63.73 -32.82 74.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 50.0 111.416 178.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -60.33 -43.14 96.69 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 119.449 -0.31 . . . . 50.0 111.391 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.16 -32.08 63.98 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.921 0.711 . . . . 50.0 112.921 175.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.21 -40.15 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.357 0.599 . . . . 50.0 109.884 -178.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.62 55.75 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.848 -0.901 . . . . 50.0 110.848 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.03 -40.73 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -44.88 95.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 50.0 111.975 178.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.31 -38.2 82.93 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.601 -0.44 . . . . 50.0 109.998 177.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.78 -43.77 71.49 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.1 -0.24 . . . . 50.0 111.071 -177.01 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -62.32 -42.33 99.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.275 0.559 . . . . 50.0 109.941 178.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -39.62 91.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.038 0.446 . . . . 50.0 110.03 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -64.21 -38.95 92.87 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.563 -0.289 . . . . 50.0 110.385 177.347 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.26 -29.79 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.915 -0.49 . . . . 50.0 111.226 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -70.05 -42.28 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -177.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.33 -3.94 6.15 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 116.345 1.98 . . . . 50.0 116.345 -174.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.23 -170.9 45.49 Favored Glycine 0 C--O 1.243 0.658 0 C-N-CA 120.553 -0.832 . . . . 50.0 113.159 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.14 -7.75 22.05 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.744 1.629 . . . . 50.0 115.663 -175.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.08 -22.8 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.05 -0.406 . . . . 50.0 110.485 177.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.8 -38.11 9.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -178.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -127.16 130.98 23.65 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 107.284 -1.376 . . . . 50.0 107.284 177.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.95 152.73 24.96 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 115.759 -2.361 . . . . 50.0 111.654 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.68 -22.75 31.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 O-C-N 121.763 -0.586 . . . . 50.0 110.849 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -69.68 -19.49 63.59 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.871 -0.518 . . . . 25.0 111.204 177.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.72 69.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.941 178.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -81.58 -31.12 32.72 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.544 -1.28 . . . . 50.0 107.544 -177.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.317 -1.31 . . . . 50.0 109.799 178.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.7 -43.95 91.84 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.822 -0.626 . . . . 50.0 109.494 176.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -55.49 -42.01 73.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 50.0 111.068 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -66.58 -28.0 68.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.821 0.675 . . . . 50.0 112.821 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.02 -41.25 82.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.485 0.659 . . . . 50.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.08 -30.95 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 178.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -56.59 -51.63 67.91 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 109.464 -0.569 . . . . 50.0 109.464 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -66.9 -26.96 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.644 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.31 -43.37 81.83 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.215 -0.303 . . . . 50.0 111.151 177.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.52 -39.1 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.103 -0.703 . . . . 50.0 109.103 178.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.89 -30.83 68.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.267 0.627 . . . . 50.0 110.832 -178.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.9 33.79 5.47 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.42 0.526 . . . . 50.0 112.42 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -62.98 -20.48 65.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.959 0.409 . . . . 50.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.02 -40.48 95.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.496 0.718 . . . . 50.0 112.411 -179.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.93 8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.424 0.631 . . . . 50.0 110.446 -177.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -129.02 80.43 72.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.169 179.424 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.2 -18.33 39.7 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.581 -1.146 . . . . 50.0 113.957 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.69 -42.28 95.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -84.74 -26.2 6.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 C-N-CA 119.264 -0.974 . . . . 50.0 109.899 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttp -63.44 -36.2 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.81 0.67 . . . . 50.0 112.81 -177.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.7 69.31 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.655 176.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -27.21 60.62 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.6 -47.84 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.03 -1.1 . . . . 50.0 108.03 175.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.64 79.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.45 -36.42 82.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.099 -0.24 . . . . 50.0 111.509 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -57.7 -44.2 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.013 0.375 . . . . 50.0 112.013 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -62.07 -45.0 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.305 0.574 . . . . 50.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.14 -38.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.228 -0.442 . . . . 50.0 110.036 -177.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.264 -0.272 . . . . 50.0 110.381 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -66.16 -32.43 73.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.858 0.361 . . . . 50.0 110.927 178.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -71.89 -18.08 62.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.251 0.463 . . . . 50.0 112.251 179.059 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.73 -8.8 30.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.361 -0.381 . . . . 50.0 111.33 -178.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.0 m -60.12 123.26 16.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.847 1.054 . . . . 50.0 113.847 -175.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 57.24 22.74 7.97 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.701 1.741 . . . . 50.0 115.701 173.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 t -63.68 149.66 46.09 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.007 0.432 . . . . 25.0 109.876 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 118' ' ' LEU . 7.2 p-10 -104.35 -134.84 0.33 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 119.016 -0.516 . . . . 50.0 110.566 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.414 ' H ' ' CG ' ' A' ' 117' ' ' ASP . 75.9 mt 61.54 -62.81 0.09 Allowed 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 119.023 2.972 . . . . 50.0 119.023 -178.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.14 -35.06 70.97 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 113.275 -1.784 . . . . 50.0 111.652 -179.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.14 19.42 7.38 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.7 -174.44 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.25 137.9 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -173.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 14.85 2.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 117.187 2.291 . . . . 25.0 117.187 176.173 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -79.02 97.84 6.24 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.85 -1.156 . . . . 25.0 111.22 179.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.6 t60 56.15 29.69 15.14 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.205 1.002 . . . . 25.0 112.645 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.253 1.272 0 N-CA-C 101.194 -3.632 . . . . 25.0 101.194 175.138 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.177 0 N-CA-C 112.212 -0.355 . . . . 50.0 112.212 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.11 -33.57 74.7 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 120.599 0.238 . . . . 50.0 111.529 178.045 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.62 -38.12 73.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.33 0.586 . . . . 50.0 110.473 178.317 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.49 -34.5 76.02 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.652 -0.655 . . . . 50.0 111.039 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -78.82 -15.13 58.77 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.116 -0.365 . . . . 50.0 111.906 174.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -85.93 -30.26 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 177.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -76.28 92.42 3.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.333 -0.849 . . . . 50.0 110.795 179.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -48.28 -36.7 14.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.76 1.393 . . . . 50.0 114.76 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.42 -35.0 73.18 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.673 0.749 . . . . 50.0 111.836 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.7 -36.26 23.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.357 -0.838 . . . . 50.0 109.781 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.37 -36.64 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.059 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -53.87 -45.2 70.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.372 0.606 . . . . 50.0 111.004 175.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 101' ' ' ALA . 3.3 mt-30 -75.63 -40.12 56.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.757 179.068 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.03 -24.97 66.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.96 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.619 -0.882 . . . . 50.0 108.619 176.058 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.76 -41.69 18.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.911 -0.403 . . . . 50.0 109.911 176.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.33 75.97 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.214 1.19 . . . . 25.0 114.214 -177.144 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.45 -40.99 96.52 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.735 -1.209 . . . . 50.0 107.735 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.72 -40.6 79.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.312 0.856 . . . . 50.0 113.312 -178.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -71.81 -18.87 62.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.486 0.585 . . . . 25.0 111.56 -175.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -73.54 -23.88 60.05 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 121.038 -0.265 . . . . 50.0 110.575 173.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.99 5.0 74.11 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 111.796 -0.522 . . . . 50.0 111.796 -176.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -84.84 124.87 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.74 -1.208 . . . . 50.0 107.74 -176.487 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -80.9 84.35 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 50.0 110.531 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.76 148.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 50.0 109.854 176.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -79.5 156.06 27.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.219 -2.141 . . . . 50.0 105.219 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -44.45 90.46 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.652 -0.419 . . . . 50.0 110.467 175.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -39.03 80.68 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.745 0.307 . . . . 25.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -68.79 -38.94 80.32 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 -176.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.08 -54.13 10.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.479 . . . . 75.0 110.842 -178.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.05 -20.03 66.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 -179.016 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.69 -40.62 69.32 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.484 0.659 . . . . 50.0 109.975 173.293 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -74.64 -23.79 58.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.11 -0.369 . . . . 50.0 111.814 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.72 -31.17 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 173.547 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.14 -22.72 52.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.635 -0.665 . . . . 50.0 111.062 175.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -68.24 -33.8 75.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 174.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.36 -45.34 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 172.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -61.28 -36.64 80.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.566 -0.743 . . . . 50.0 110.351 -172.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -53.44 10.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.845 0.683 . . . . 50.0 112.845 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -73.09 -26.38 61.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.559 0.695 . . . . 25.0 111.762 -177.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 59' ' ' VAL . 67.4 m -128.38 74.93 79.63 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.853 0.686 . . . . 50.0 112.853 -178.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.79 -16.83 37.61 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.192 -0.738 . . . . 50.0 111.74 177.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -9.43 59.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 50.0 112.678 176.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -73.18 -53.27 4.94 Favored Pre-proline 0 CA--C 1.543 0.701 0 O-C-N 121.3 -0.875 . . . . 50.0 111.032 177.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -69.51 -15.76 38.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 113.872 -3.619 . . . . 50.0 113.284 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -64.75 -38.67 91.78 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.457 0.17 . . . . 50.0 110.801 175.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.3 -34.95 73.36 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.562 -0.903 . . . . 50.0 108.562 175.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.53 31.1 62.87 Favored Glycine 0 C--O 1.23 -0.144 0 CA-C-N 115.302 -0.863 . . . . 50.0 113.093 178.176 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.8 m -128.26 130.22 47.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 -177.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -105.72 107.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 123.134 1.445 . . . . 50.0 109.702 -176.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -145.82 159.37 43.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.524 -2.028 . . . . 50.0 105.524 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.95 -28.43 41.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.521 -0.918 . . . . 50.0 108.521 178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -67.47 -37.14 82.46 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.284 178.547 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -72.84 -37.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 176.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -64.48 -27.59 69.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -55.23 -51.51 66.35 Favored 'General case' 0 CA--C 1.483 -1.627 0 CA-C-O 121.245 0.545 . . . . 50.0 110.088 175.692 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -52.72 -30.4 32.17 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.427 -1.715 . . . . 50.0 112.391 -175.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' HA ' ' SG ' ' A' ' 42' ' ' CYS . 44.8 t -71.71 -44.26 69.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.28 0.562 . . . . 50.0 111.772 178.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.38 56.11 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 110.213 -1.155 . . . . 50.0 110.213 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.05 -37.65 88.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 178.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.25 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 50.0 111.336 176.155 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -64.16 -37.34 87.13 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -63.65 -46.52 85.23 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.071 0.232 . . . . 50.0 110.411 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.1 -35.36 71.79 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.513 -0.475 . . . . 50.0 111.1 -176.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.98 -37.9 85.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 176.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -65.42 -42.45 92.47 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 176.088 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -63.11 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.37 0.668 . . . . 50.0 111.54 -178.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 m -68.21 -40.81 82.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 25.0 112.003 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -126.98 -47.94 1.49 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 117.968 2.581 . . . . 50.0 117.968 -176.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.22 -174.16 22.63 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 121.37 -0.443 . . . . 50.0 113.738 -175.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.03 -12.24 30.2 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.312 2.674 . . . . 50.0 115.118 -177.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -81.75 -10.97 59.21 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.124 -0.36 . . . . 50.0 110.625 177.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -99.52 -43.68 6.43 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.397 -0.365 . . . . 50.0 111.649 175.676 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.45 131.03 24.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 106.628 -1.619 . . . . 50.0 106.628 173.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.24 152.6 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 115.375 -2.616 . . . . 50.0 113.089 -179.42 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -22.38 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 122.001 -0.437 . . . . 50.0 111.418 177.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -69.88 -24.17 63.36 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.575 -0.703 . . . . 25.0 111.293 177.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.38 85.73 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.948 -0.701 . . . . 25.0 110.296 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -72.36 -33.38 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 50.0 110.025 177.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.1 t -66.92 -45.09 78.98 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.787 -0.449 . . . . 50.0 109.787 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.8 -40.7 92.15 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 176.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.26 -38.33 71.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.128 -0.323 . . . . 50.0 110.128 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -67.16 -35.21 79.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 50.0 112.086 -178.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.49 -43.62 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.929 0.395 . . . . 50.0 110.045 179.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.99 -30.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.88 -51.13 70.29 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.759 -0.46 . . . . 50.0 109.759 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.1 -29.71 69.54 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.408 -0.517 . . . . 50.0 111.003 -179.198 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.5 -39.26 88.6 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 112.054 0.39 . . . . 50.0 112.054 178.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.66 -41.08 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 177.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.25 -38.81 77.63 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.281 0.562 . . . . 50.0 110.369 -177.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -115.14 35.14 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.079 -0.509 . . . . 50.0 111.254 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.17 -21.64 66.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.54 0.686 . . . . 50.0 109.663 176.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.45 -29.12 69.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.827 1.047 . . . . 50.0 113.827 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.97 8.62 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 121.5 0.666 . . . . 50.0 110.076 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -123.21 77.87 52.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 108.116 -1.068 . . . . 50.0 108.116 176.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.1 -18.15 45.66 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 117.941 -0.906 . . . . 50.0 114.414 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -63.88 -50.81 67.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 177.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.49 -25.18 14.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 115.874 -0.603 . . . . 50.0 111.166 -176.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.21 -36.79 73.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.263 0.483 . . . . 50.0 110.299 176.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB3' HE22 ' A' ' 14' ' ' GLN . . . -66.51 -31.95 72.99 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.142 -0.974 . . . . 25.0 110.416 175.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.5 60.53 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.64 -48.2 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.465 -1.309 . . . . 50.0 107.465 174.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.62 82.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.447 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -65.7 -34.35 77.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.5 m -64.73 -40.54 95.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.25 -42.86 99.35 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.401 -0.519 . . . . 50.0 110.802 175.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -58.59 -45.92 88.05 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.008 -0.432 . . . . 50.0 110.899 178.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.25 -38.86 78.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.481 -0.327 . . . . 50.0 110.684 -175.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.69 -40.57 79.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.425 -0.213 . . . . 50.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.1 mmtp -71.89 -20.06 61.84 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.467 0.543 . . . . 50.0 112.467 174.424 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.2 t -81.06 -12.39 59.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.311 0.577 . . . . 50.0 110.112 176.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.23 179.26 4.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.744 -1.116 . . . . 50.0 111.335 -176.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m 57.64 -157.97 0.28 Allowed 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 124.269 1.028 . . . . 50.0 110.971 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -78.56 -12.44 60.01 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.871 -1.059 . . . . 50.0 111.049 -178.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.415 HG21 ' H ' ' A' ' 117' ' ' ASP . 2.5 m 57.24 -162.16 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.399 0.68 . . . . 25.0 109.181 -177.277 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.415 ' H ' HG21 ' A' ' 116' ' ' THR . 57.7 t0 -153.85 -164.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 1 N-CA-C 99.453 -4.277 . . . . 50.0 99.453 179.344 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.1 135.62 16.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.369 1.08 . . . . 50.0 112.524 173.37 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CD ' ' HD1' ' A' ' 121' ' ' HIS . 3.1 pp20? -145.36 166.35 25.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.132 -0.94 . . . . 50.0 109.632 -178.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.8 90.51 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.173 0.511 . . . . 25.0 111.526 -174.228 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.419 ' HD1' ' CD ' ' A' ' 119' ' ' GLU . 12.7 p-80 -86.68 107.13 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -178.438 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.59 -44.74 89.65 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.434 -0.791 . . . . 25.0 109.941 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.69 -162.88 0.13 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.469 0.708 . . . . 25.0 112.5 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -152.48 160.52 43.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 101.761 -3.422 . . . . 25.0 101.761 -179.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 173.894 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.321 0 N-CA-C 114.904 0.722 . . . . 50.0 114.904 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -62.66 -37.16 85.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 178.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.83 -39.57 63.95 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.271 0.557 . . . . 50.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.64 -41.78 95.6 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.651 -0.656 . . . . 50.0 110.969 176.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -69.74 -11.36 60.8 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 174.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -94.9 -20.5 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.609 0.719 . . . . 50.0 109.53 178.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -80.86 84.21 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.06 -31.23 40.5 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.787 1.773 . . . . 50.0 115.787 -172.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.83 -36.33 83.19 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.447 -0.783 . . . . 50.0 111.535 177.426 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -75.17 -43.39 52.58 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.414 -0.958 . . . . 50.0 108.414 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.81 -40.59 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.637 -0.71 . . . . 50.0 110.955 176.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -46.12 80.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.653 0.381 . . . . 50.0 111.858 -179.641 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -37.97 70.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.042 . . . . 50.0 108.188 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.73 -23.46 67.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.427 0.899 . . . . 50.0 113.427 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -50.87 -35.62 33.66 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 174.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -82.19 -46.85 13.21 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 116.714 -0.221 . . . . 50.0 111.023 176.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.97 90.94 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.399 1.259 . . . . 25.0 114.399 -175.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -37.55 87.9 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.66 -39.98 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 p -68.15 -16.26 63.92 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -16.58 62.05 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.047 -0.408 . . . . 50.0 110.207 175.152 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.08 23.72 77.56 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.929 -0.653 . . . . 50.0 113.799 175.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -126.68 147.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 50.0 111.958 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.03 84.86 6.39 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.077 -0.51 . . . . 50.0 109.86 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.32 134.22 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.108 -1.812 . . . . 50.0 106.108 178.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -87.39 163.27 16.86 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.188 -1.041 . . . . 50.0 108.188 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.35 -42.72 87.54 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.997 -0.439 . . . . 50.0 110.953 174.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.93 84.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.2 0.524 . . . . 25.0 109.987 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.67 -46.54 63.03 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.22 -1.03 . . . . 50.0 108.22 -175.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.6 tp -67.75 -54.03 22.52 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.391 0.615 . . . . 50.0 112.318 -175.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.69 -19.97 65.87 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -59.01 -41.6 88.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 119.639 -0.824 . . . . 50.0 108.968 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -74.71 -25.71 59.32 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 120.383 -0.527 . . . . 50.0 112.204 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.64 -38.27 90.44 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.088 -1.079 . . . . 50.0 108.088 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.43 -34.36 75.85 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.96 0.41 . . . . 50.0 111.216 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.28 -37.11 86.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 50.0 112.339 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -28.53 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.922 -0.711 . . . . 50.0 111.2 -178.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -64.44 -41.41 96.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.814 -0.754 . . . . 50.0 109.387 -175.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.38 -43.86 89.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.013 -0.994 . . . . 50.0 110.538 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -29.74 50.15 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.074 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 87.4 m -128.0 77.43 76.59 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.363 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.31 -18.81 29.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 CA-C-O 121.45 0.521 . . . . 50.0 112.405 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.81 -17.13 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.881 -0.6 . . . . 50.0 112.352 177.043 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.8 -53.14 15.99 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.371 -0.831 . . . . 50.0 111.338 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.18 -19.42 29.6 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.894 -3.604 . . . . 50.0 113.83 176.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.27 -40.2 93.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 50.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.86 -28.0 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.427 0.632 . . . . 50.0 109.783 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.67 0.39 8.4 Favored Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.018 1.167 . . . . 50.0 116.018 176.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 m -102.69 134.23 46.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -175.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.36 84.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 123.74 1.733 . . . . 50.0 109.476 -174.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.12 153.82 19.25 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 104.78 -2.304 . . . . 75.0 104.78 175.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' HE ' ' A' ' 57' ' ' ARG . 10.4 tp -67.38 -28.14 41.21 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 N-CA-C 107.267 -1.383 . . . . 50.0 107.267 171.029 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.99 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.218 0.533 . . . . 50.0 110.368 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -77.94 -34.89 50.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.924 -0.769 . . . . 50.0 108.924 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -62.23 -28.84 69.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.98 -0.554 . . . . 50.0 111.258 176.258 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HE ' HG13 ' A' ' 53' ' ' ILE . 18.8 mmt85 -56.12 -47.24 78.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 175.73 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -67.35 -21.43 65.63 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 114.359 1.244 . . . . 50.0 114.359 -177.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.02 -39.2 79.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.818 -1.178 . . . . 50.0 107.818 175.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.37 60.61 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.004 -0.838 . . . . 50.0 111.004 178.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.8 -36.79 82.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -43.74 90.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.142 179.295 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.87 -37.85 89.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 178.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -63.08 -45.32 92.68 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 110.021 -0.363 . . . . 50.0 110.021 -179.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -70.99 -39.06 72.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.394 0.616 . . . . 50.0 111.821 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.18 -37.19 86.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 177.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.36 -38.93 78.33 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 121.222 0.534 . . . . 50.0 110.436 175.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.09 -35.7 80.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.212 0.53 . . . . 50.0 111.066 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -79.73 -41.28 27.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -177.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.49 2.52 10.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.062 1.875 . . . . 50.0 116.062 -173.173 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 -174.57 54.95 Favored Glycine 0 C--O 1.242 0.645 0 N-CA-C 115.344 0.898 . . . . 50.0 115.344 178.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.64 -5.4 17.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.25 1.966 . . . . 50.0 115.114 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.73 -8.74 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.264 0.554 . . . . 50.0 111.889 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -115.78 -34.6 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.553 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.39 131.01 24.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.177 -1.046 . . . . 50.0 108.177 173.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -84.75 157.51 11.98 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 117.198 -1.401 . . . . 50.0 112.592 175.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.33 -23.04 32.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 121.684 -0.635 . . . . 50.0 111.468 176.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -71.38 -20.84 62.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.456 -0.777 . . . . 25.0 111.736 177.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -37.72 84.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.745 -0.782 . . . . 25.0 109.892 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.79 -32.24 69.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.527 0.679 . . . . 50.0 110.112 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.8 t -69.77 -43.87 71.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.861 -0.608 . . . . 50.0 109.537 -178.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.76 -38.44 83.45 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.313 -0.403 . . . . 50.0 110.089 176.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -59.21 -36.43 75.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.028 0.442 . . . . 50.0 110.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -35.31 80.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.871 -0.604 . . . . 50.0 110.866 179.472 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.91 -40.52 95.21 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.343 -0.389 . . . . 50.0 111.155 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.24 -30.35 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 121.283 -0.886 . . . . 25.0 109.019 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.29 -49.5 76.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.909 -0.494 . . . . 50.0 110.416 178.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.6 -31.59 72.71 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.87 -0.732 . . . . 50.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.63 -42.54 77.89 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 -178.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.79 -40.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.754 -0.778 . . . . 50.0 109.392 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.39 -34.44 76.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.835 0.35 . . . . 50.0 110.546 -175.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -112.64 32.83 5.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.912 0.387 . . . . 50.0 111.561 178.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.8 -18.14 65.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.513 0.673 . . . . 50.0 109.499 176.13 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.37 -26.54 68.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.149 -0.932 . . . . 50.0 113.48 178.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.15 8.61 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.476 0.655 . . . . 50.0 110.059 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -126.12 83.76 62.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.394 -0.965 . . . . 50.0 108.394 179.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.26 -19.28 38.73 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 117.808 -0.995 . . . . 50.0 114.161 -175.097 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -64.86 -54.35 32.33 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 177.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.3 p -72.83 -28.07 26.37 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.881 -1.127 . . . . 50.0 110.697 -176.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -40.53 92.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.275 -0.89 . . . . 50.0 110.743 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.06 68.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.939 0.4 . . . . 25.0 110.517 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.98 49.38 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.32 -48.64 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.67 96.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.245 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -63.36 -37.4 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.104 0.409 . . . . 50.0 112.104 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -68.01 -37.69 81.74 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 -178.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.03 -45.3 91.06 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.568 0.622 . . . . 50.0 111.265 176.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.15 -40.3 95.5 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.558 0.694 . . . . 50.0 110.476 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.15 -41.5 87.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 50.0 110.04 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.73 -38.08 79.92 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.926 -0.484 . . . . 50.0 111.987 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -68.76 -28.37 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.793 0.33 . . . . 50.0 111.292 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.6 t -83.27 -40.62 19.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.357 0.598 . . . . 50.0 112.205 178.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.29 129.01 38.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 50.0 112.325 -175.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.2 m -82.34 159.44 23.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 122.081 0.943 . . . . 50.0 109.137 174.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -83.88 89.52 7.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 50.0 109.144 175.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.2 p -73.73 152.28 40.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.509 -1.223 . . . . 25.0 110.34 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -95.31 172.89 7.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.23 -0.896 . . . . 50.0 112.391 -174.564 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 33.5 mt 59.35 -161.19 0.27 Allowed 'General case' 0 C--O 1.24 0.594 0 N-CA-C 116.12 1.896 . . . . 50.0 116.12 173.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.432 ' CD ' ' HD1' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -72.59 75.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 114.612 1.338 . . . . 50.0 114.612 -171.635 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -70.5 -16.02 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.749 174.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.432 ' HD1' ' CD ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -84.5 120.49 26.39 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 176.021 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 166.17 25.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -176.722 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.74 132.13 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 173.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -102.79 -9.46 19.95 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 174.079 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.512 -0.518 0 N-CA-C 100.268 -3.975 . . . . 25.0 100.268 172.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.337 0 N-CA-C 113.056 -0.018 . . . . 50.0 113.056 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -64.64 -44.5 90.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.419 -0.512 . . . . 50.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.15 -36.21 79.29 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 120.841 0.353 . . . . 50.0 110.193 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.66 -36.07 75.7 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.775 -0.578 . . . . 50.0 110.688 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -66.57 -26.57 67.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.117 1.525 . . . . 50.0 115.117 170.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -85.69 -23.76 27.28 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.437 0.637 . . . . 50.0 110.551 179.585 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -80.87 82.01 6.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 -174.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.08 -33.99 20.29 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 115.503 1.668 . . . . 50.0 115.503 -171.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.38 67.19 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.17 -0.956 . . . . 50.0 112.025 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -83.02 -37.43 23.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 176.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.31 -38.9 57.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 173.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -62.36 -39.35 92.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.611 0.967 . . . . 50.0 113.611 178.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -64.53 -40.25 95.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.817 -0.809 . . . . 50.0 108.817 173.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -70.1 -23.49 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.24 0.829 . . . . 50.0 113.24 178.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.588 -1.634 . . . . 50.0 106.588 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -80.14 -47.27 15.01 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.142 -0.481 . . . . 50.0 110.674 175.221 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.8 98.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -174.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.45 -39.95 95.85 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.142 -1.059 . . . . 50.0 108.142 178.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -67.88 -40.49 83.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 50.0 112.66 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 p -69.81 -25.84 63.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -175.15 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -14.14 59.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 119.623 -0.831 . . . . 50.0 109.968 175.232 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 16.99 77.14 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 121.393 -0.432 . . . . 50.0 113.422 176.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.62 123.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.124 0.964 . . . . 50.0 109.63 -176.199 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -83.0 84.49 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.648 -0.705 . . . . 50.0 112.01 -176.578 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.6 m -122.11 156.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.061 -1.088 . . . . 50.0 108.061 175.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -79.07 147.51 32.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.647 -1.612 . . . . 50.0 106.647 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -47.84 79.94 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 122.411 -0.181 . . . . 50.0 111.424 177.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.03 74.03 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.397 -0.365 . . . . 25.0 110.778 179.433 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -71.39 -32.81 68.87 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.969 -0.382 . . . . 50.0 109.969 -178.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -54.03 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.061 -0.655 . . . . 50.0 110.874 178.838 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.17 -20.33 62.6 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 178.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -54.09 -38.56 65.49 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.999 -0.438 . . . . 50.0 110.079 171.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -79.59 -23.87 42.42 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.088 -0.382 . . . . 50.0 111.862 -179.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.1 -26.95 63.26 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.607 -1.257 . . . . 50.0 107.607 173.063 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.6 -31.22 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.592 0.71 . . . . 50.0 109.608 176.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.23 -28.15 66.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 50.0 112.522 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -64.79 -33.19 61.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 C-N-CA 119.4 -0.92 . . . . 50.0 108.835 176.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -67.78 -36.45 80.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.668 -0.493 . . . . 50.0 109.668 -178.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.26 -32.55 72.36 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.828 -0.624 . . . . 50.0 111.638 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 m -97.23 -33.89 11.3 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.405 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -124.44 82.48 58.42 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -173.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.46 -12.78 29.88 Favored 'Trans proline' 0 C--N 1.344 0.31 0 CA-C-O 121.541 0.559 . . . . 50.0 111.609 177.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -9.85 53.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 50.0 112.725 177.793 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.39 -49.73 82.44 Favored Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 121.427 -0.795 . . . . 50.0 111.523 176.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -69.12 -19.73 38.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 114.076 -3.483 . . . . 50.0 114.309 176.338 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.85 -35.3 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.709 0.231 . . . . 50.0 110.934 178.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.53 -31.39 70.59 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.312 -0.996 . . . . 50.0 108.312 175.165 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.76 33.56 Favored Glycine 0 C--O 1.229 -0.188 0 N-CA-C 115.442 0.937 . . . . 50.0 115.442 174.642 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.8 m -127.63 127.39 43.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.49 98.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 123.145 1.45 . . . . 50.0 108.882 -174.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -138.95 164.44 29.7 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.987 -2.227 . . . . 50.0 104.987 179.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.09 -28.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 111.388 0.144 . . . . 50.0 111.388 -179.044 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -66.42 -35.61 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.699 -0.625 . . . . 50.0 110.33 177.119 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -78.27 -40.46 36.97 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 110.049 -0.352 . . . . 50.0 110.049 177.067 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -64.28 -31.87 73.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.692 0.282 . . . . 50.0 111.189 -179.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -61.2 -43.56 98.69 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 119.311 -0.376 . . . . 50.0 110.967 175.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -57.41 -33.36 67.79 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 111.664 0.246 . . . . 50.0 111.664 177.196 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.26 -41.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 50.0 110.263 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -36.8 61.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.568 -0.825 . . . . 50.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.74 -40.95 98.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -44.87 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.428 -0.805 . . . . 50.0 111.744 177.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -61.0 -34.01 74.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.689 -0.405 . . . . 50.0 110.386 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.51 -43.44 97.17 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.604 -0.438 . . . . 50.0 110.408 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.29 -36.13 66.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.607 0.718 . . . . 50.0 111.264 179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -35.95 78.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 176.874 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.02 -40.13 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 50.0 110.544 177.174 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.6 -39.36 93.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.08 -0.387 . . . . 50.0 111.713 -178.259 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 t -85.88 -20.09 29.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -172.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -119.16 -11.55 9.59 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.334 1.605 . . . . 50.0 115.334 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.92 178.85 52.69 Favored Glycine 0 C--O 1.244 0.734 0 C-N-CA 120.884 -0.674 . . . . 50.0 114.014 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.5 -12.28 29.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.255 1.97 . . . . 50.0 115.407 -176.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -74.53 -30.51 61.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.221 0.534 . . . . 50.0 110.968 -178.68 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.04 -40.08 10.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.602 -178.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.09 130.8 24.5 Favored Pre-proline 0 C--O 1.22 -0.489 0 N-CA-C 106.651 -1.611 . . . . 50.0 106.651 175.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.12 154.5 11.07 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 115.508 -2.528 . . . . 50.0 112.43 178.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.27 -20.49 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.688 -0.632 . . . . 50.0 110.519 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -73.6 -17.2 61.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.673 -0.642 . . . . 25.0 111.1 177.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.23 82.62 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.238 -0.585 . . . . 25.0 109.444 178.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.3 -31.2 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.207 0.527 . . . . 50.0 111.185 178.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -71.75 -43.82 65.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.983 -0.747 . . . . 50.0 108.983 178.422 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.23 -41.74 96.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.607 . . . . 50.0 110.039 176.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.03 -39.52 82.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.779 0.323 . . . . 50.0 110.503 178.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.51 -28.29 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.986 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.7 -40.8 84.3 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-O 120.976 0.417 . . . . 50.0 110.023 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.18 -31.03 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.181 -0.949 . . . . 25.0 109.402 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -56.09 -48.68 75.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.774 179.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.25 -30.86 70.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.776 -0.37 . . . . 50.0 110.423 -179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.58 -36.01 73.35 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 112.041 0.386 . . . . 50.0 112.041 -179.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.62 -42.93 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.542 -0.54 . . . . 50.0 109.542 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.34 -33.27 69.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.11 0.481 . . . . 50.0 110.998 -177.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 35.99 4.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 50.0 110.887 178.298 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -64.78 -20.12 66.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.413 0.625 . . . . 50.0 110.811 178.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.19 -30.28 69.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 50.0 113.304 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.4 10.33 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.561 0.696 . . . . 50.0 110.275 -179.275 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.36 78.09 61.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.781 -0.822 . . . . 50.0 108.781 178.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.62 -23.93 36.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 N-CA-C 115.527 1.318 . . . . 50.0 115.527 -173.582 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -67.22 -35.78 80.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 m -84.91 -29.81 6.72 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 C-N-CA 120.118 -0.633 . . . . 50.0 110.943 177.168 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -61.21 -41.52 96.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.618 0.644 . . . . 50.0 110.179 -179.458 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.072 0.463 . . . . 25.0 110.434 176.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 -31.01 42.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.53 -49.64 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 176.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.9 96.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.42 -37.84 87.38 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 120.491 -0.484 . . . . 50.0 112.114 178.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m -67.57 -38.54 84.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.378 -0.827 . . . . 25.0 108.813 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -61.02 -39.63 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.043 -0.411 . . . . 50.0 110.574 176.294 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.91 -46.1 79.52 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.213 0.53 . . . . 50.0 111.617 177.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -34.79 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 -177.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.43 -37.54 87.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.954 0.353 . . . . 50.0 111.954 177.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -71.75 -25.72 62.16 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.21 0.459 . . . . 50.0 111.23 178.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.4 t -83.43 -13.37 54.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.719 -178.019 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -93.65 146.92 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.028 0.751 . . . . 50.0 113.028 -175.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -91.15 124.41 35.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 50.0 109.91 177.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.46 13.4 0.46 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.877 1.066 . . . . 50.0 113.877 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.2 p -74.31 -17.24 60.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.368 0.877 . . . . 25.0 113.368 -176.095 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.2 t0 43.29 32.28 0.47 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.55 1.685 . . . . 50.0 115.55 175.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.97 141.18 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.117 0.96 . . . . 50.0 112.437 -173.749 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -91.53 148.27 22.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.209 -0.905 . . . . 50.0 110.297 178.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -117.66 0.5 12.06 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.759 0.79 . . . . 25.0 109.684 176.204 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -156.59 145.33 20.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 100.78 -3.785 . . . . 25.0 100.78 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.03 117.3 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -176.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -107.24 -42.6 4.8 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 176.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.58 -161.92 0.14 Allowed 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.006 0.816 . . . . 25.0 109.936 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.7 m80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 116.435 -1.745 . . . . 25.0 107.714 -175.223 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 CA-C-O 120.198 -0.223 . . . . 50.0 113.414 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.494 0.647 . . . . 50.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.07 -31.37 62.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.21 0.529 . . . . 50.0 110.135 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.44 -36.69 83.19 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.73 -0.606 . . . . 50.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -26.43 66.29 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.921 0.712 . . . . 50.0 112.921 173.489 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -78.23 -27.06 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.972 0.891 . . . . 50.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.15 75.48 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 50.0 110.841 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.13 -32.33 15.7 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.139 1.533 . . . . 50.0 115.139 -175.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -64.15 -30.45 71.51 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.419 -0.801 . . . . 50.0 112.07 178.404 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -86.05 -37.84 18.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.154 -0.684 . . . . 50.0 109.154 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.86 -33.22 34.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 115.752 -0.658 . . . . 50.0 109.905 175.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 4.3 tm-20 -50.8 -52.0 45.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.108 0.41 . . . . 50.0 112.108 178.082 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.46 -28.76 67.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.764 -0.585 . . . . 50.0 111.147 178.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -71.75 -23.59 61.63 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.698 -0.626 . . . . 50.0 111.966 175.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 52.8 mttm -60.92 -41.42 96.16 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.847 -1.908 . . . . 50.0 105.847 177.53 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.2 -46.65 40.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.123 176.085 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.0 95.86 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -174.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.77 -40.84 97.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 178.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -66.76 -43.54 83.81 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.362 0.505 . . . . 50.0 112.362 -178.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -69.36 -20.92 63.84 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.7 0.259 . . . . 25.0 111.7 -176.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.87 -20.23 62.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.789 0.328 . . . . 50.0 111.248 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.55 11.69 83.8 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 114.539 0.576 . . . . 50.0 114.539 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.97 131.49 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.627 0.727 . . . . 50.0 109.096 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.0 84.28 7.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.585 . . . . 50.0 110.591 -175.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -101.01 135.2 38.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 106.497 -1.668 . . . . 50.0 106.497 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -65.74 135.78 55.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.4 -1.704 . . . . 50.0 106.4 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.06 65.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.965 1.098 . . . . 50.0 113.965 -176.044 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.36 86.72 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 120.798 0.332 . . . . 25.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -74.16 -26.17 60.15 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.383 -0.198 . . . . 50.0 111.183 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.66 -52.86 18.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.754 -0.832 . . . . 50.0 108.754 176.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.157 0.799 . . . . 50.0 113.157 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.28 -41.94 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.334 0.588 . . . . 50.0 110.247 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -77.29 -23.7 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.403 -0.362 . . . . 50.0 111.883 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.98 -19.31 64.14 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -31.08 23.77 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.551 -0.718 . . . . 50.0 110.167 173.596 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.02 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.159 0.8 . . . . 50.0 113.159 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -39.43 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.537 -0.727 . . . . 50.0 109.278 176.685 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -64.81 -38.01 89.53 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.399 -0.593 . . . . 50.0 109.399 178.06 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.28 -50.79 71.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.153 0.501 . . . . 50.0 111.922 -177.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 m -76.75 -24.89 52.97 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.435 0.636 . . . . 25.0 111.659 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -126.59 80.14 70.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.422 -0.354 . . . . 50.0 111.791 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.51 -9.14 24.64 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-O 122.0 0.75 . . . . 50.0 112.212 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.33 -9.97 48.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.584 -0.735 . . . . 50.0 111.69 175.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.04 -48.54 27.59 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.763 -0.586 . . . . 50.0 111.492 177.763 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -69.41 -20.93 35.83 Favored 'Trans proline' 0 C--N 1.358 1.027 1 C-N-CA 112.529 -4.514 . . . . 50.0 112.863 174.355 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.39 -37.21 74.48 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.815 0.302 . . . . 50.0 111.815 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -78.17 -18.94 54.9 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.837 -0.539 . . . . 50.0 110.013 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.91 19.75 30.93 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 116.846 1.498 . . . . 50.0 116.846 170.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 m -130.86 134.07 46.47 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 -174.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.4 mt -124.48 103.11 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 122.522 1.153 . . . . 50.0 110.503 -171.497 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -144.3 163.49 33.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.433 -2.062 . . . . 50.0 105.433 174.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.07 -28.81 45.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.435 0.16 . . . . 50.0 111.241 -176.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.95 -38.43 85.83 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.976 -0.452 . . . . 50.0 110.807 177.045 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -85.56 -36.02 20.71 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 120.689 0.28 . . . . 50.0 110.79 179.167 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -62.71 -30.23 71.26 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.431 0.53 . . . . 50.0 112.431 179.462 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -61.4 -40.67 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.055 -0.403 . . . . 50.0 110.835 176.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.52 -31.4 66.01 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.999 0.74 . . . . 50.0 112.999 176.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.36 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.32 73.49 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.565 -1.014 . . . . 50.0 110.565 178.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 177.459 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -42.78 95.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.064 177.473 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.55 -37.46 86.23 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.72 -39.78 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.301 -0.159 . . . . 50.0 111.128 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.16 -44.58 83.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.951 0.881 . . . . 50.0 109.176 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.2 -39.24 94.06 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.57 -0.741 . . . . 50.0 110.209 178.177 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.53 -44.08 75.35 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 113.134 0.791 . . . . 50.0 113.134 178.59 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -30.7 70.08 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.922 0.783 . . . . 50.0 112.373 -171.461 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -61.54 -40.84 96.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 178.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -127.35 -1.85 6.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.825 2.158 . . . . 50.0 116.825 -174.139 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.82 -153.18 45.24 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.535 -1.026 . . . . 50.0 110.535 -174.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.75 -5.62 17.25 Favored 'Trans proline' 0 C--N 1.346 0.424 0 CA-C-N 118.499 1.15 . . . . 50.0 114.311 -178.227 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.28 -17.87 64.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -179.21 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -39.6 3.45 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.29 0.848 . . . . 50.0 113.29 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.44 130.84 24.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 106.442 -1.688 . . . . 50.0 106.442 174.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.05 151.54 39.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 114.674 -3.084 . . . . 50.0 111.151 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.14 -20.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 121.774 -0.579 . . . . 50.0 110.938 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -72.58 -21.15 61.19 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.721 -0.612 . . . . 25.0 111.216 176.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.45 83.5 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 119.911 -0.716 . . . . 25.0 109.278 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -71.59 -30.22 65.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.108 0.48 . . . . 50.0 110.788 177.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -72.18 -45.34 60.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.05 -44.66 94.52 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.185 175.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -60.48 -41.22 93.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.332 0.493 . . . . 50.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.1 -30.88 71.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 50.0 111.117 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 50.0 109.928 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.83 -30.44 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -57.92 -45.2 86.89 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.977 -0.452 . . . . 50.0 111.43 -178.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.4 -28.41 62.97 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.472 -0.891 . . . . 50.0 110.673 -179.521 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.6 -39.55 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.34 -0.225 . . . . 50.0 111.462 179.443 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.1 mt -73.52 -40.47 55.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 177.263 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.41 -32.13 72.92 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.801 0.334 . . . . 50.0 110.765 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -115.68 36.26 4.07 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.462 -0.336 . . . . 50.0 111.781 178.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -61.31 -22.44 64.88 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.169 0.509 . . . . 50.0 110.869 178.276 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.49 -27.92 69.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.934 1.087 . . . . 50.0 113.934 -179.355 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.55 8.95 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.564 0.697 . . . . 50.0 110.055 179.537 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -125.75 77.96 69.54 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.71 -22.94 27.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 117.358 -1.295 . . . . 50.0 115.182 -174.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -39.19 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 179.58 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -81.87 -31.22 10.58 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.425 0 C-N-CA 119.605 -0.838 . . . . 50.0 109.434 178.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -40.71 94.53 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.868 0.758 . . . . 50.0 111.039 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.28 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.92 0.39 . . . . 25.0 110.391 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -33.64 63.29 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.369 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.51 -47.08 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 176.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.36 -46.91 84.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.05 -35.68 79.33 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.169 0.433 . . . . 50.0 112.169 179.233 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -67.15 -40.07 86.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.471 ' HB3' ' HZ2' ' A' ' 111' ' ' LYS . 60.5 mt-10 -61.88 -40.17 94.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.726 -0.609 . . . . 50.0 111.2 175.366 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -61.62 -45.14 95.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.938 0.399 . . . . 50.0 110.475 179.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -67.47 -41.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.388 -0.369 . . . . 50.0 110.038 -178.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.28 -37.6 86.15 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.981 -0.449 . . . . 50.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HZ2' ' HB3' ' A' ' 107' ' ' GLU . 41.9 mttt -78.21 -21.51 49.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.698 0.629 . . . . 50.0 112.698 179.221 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -83.52 -33.78 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.035 0.445 . . . . 50.0 110.256 178.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.57 147.35 52.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.37 0.605 . . . . 50.0 109.983 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.7 m -136.26 156.29 48.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.16 -1.052 . . . . 75.0 108.16 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 54.25 39.61 30.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 122.241 1.019 . . . . 50.0 109.684 -176.294 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -71.97 128.26 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.896 -1.047 . . . . 25.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t0 65.75 173.24 0.23 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.282 1.216 . . . . 50.0 114.282 177.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -116.47 151.48 35.99 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 113.729 1.011 . . . . 50.0 113.729 -173.359 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 49.71 34.4 7.35 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.501 1.667 . . . . 50.0 115.501 174.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.54 64.77 2.93 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 171.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.91 79.88 2.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.754 0.788 . . . . 25.0 110.892 -175.399 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -70.07 52.97 0.13 Allowed 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -176.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -104.51 117.1 33.32 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.305 0.642 . . . . 25.0 110.883 -177.647 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -151.52 -177.02 5.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 179.06 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 102.979 -2.971 . . . . 25.0 102.979 174.542 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.477 0 N-CA-C 112.958 -0.057 . . . . 50.0 112.958 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -70.87 -28.04 64.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.968 -0.725 . . . . 50.0 109.988 -178.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.43 -43.77 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.673 0.749 . . . . 50.0 109.679 176.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.14 -36.37 77.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.66 -0.7 . . . . 50.0 111.29 176.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -62.05 -10.86 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.774 1.398 . . . . 50.0 114.774 175.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.1 -20.26 18.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.24 0.473 . . . . 50.0 111.094 178.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -80.75 92.18 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.9 -36.19 47.96 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.702 1.371 . . . . 50.0 114.702 -173.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.59 -34.43 75.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.335 0.588 . . . . 50.0 112.381 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -83.21 -39.79 20.49 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 178.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.51 -38.86 51.04 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.614 -0.721 . . . . 50.0 109.535 174.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -61.2 -38.26 85.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 179.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -67.1 -38.27 85.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.828 -0.749 . . . . 50.0 109.116 175.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.75 -23.69 63.42 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.733 0.642 . . . . 50.0 112.733 176.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.22 -35.03 76.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.731 -1.581 . . . . 50.0 106.731 177.247 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -83.9 -46.51 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.405 -0.361 . . . . 50.0 111.484 175.514 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.99 90.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -173.641 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.1 -37.25 86.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.154 -0.684 . . . . 50.0 109.154 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -70.49 -43.85 68.86 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.243 0.461 . . . . 50.0 112.243 179.452 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.9 p -68.96 -12.4 61.61 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -175.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -24.15 63.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.577 -0.527 . . . . 50.0 109.577 174.203 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.2 76.92 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 121.123 -0.561 . . . . 50.0 113.53 178.185 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.34 151.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -178.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -80.91 84.91 6.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.416 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.24 152.97 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 176.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -104.78 145.0 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.312 -1.366 . . . . 50.0 107.312 -178.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -50.99 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.394 0.516 . . . . 50.0 112.394 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.09 77.9 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.247 -177.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -73.9 -36.4 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.619 0.229 . . . . 50.0 111.619 -178.088 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.79 -53.29 56.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.806 -0.813 . . . . 50.0 108.806 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.45 -21.49 66.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 178.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -65.09 -30.9 71.88 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.093 -1.004 . . . . 50.0 110.349 176.122 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -79.77 -23.82 41.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.123 -0.361 . . . . 50.0 111.12 176.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -73.08 -30.67 63.86 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 107.684 -1.228 . . . . 50.0 107.684 175.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.02 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 50.0 110.358 177.778 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.2 -25.34 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.209 178.257 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -47.42 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 108.337 -0.986 . . . . 50.0 108.337 174.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -67.05 -43.56 82.42 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.06 -0.656 . . . . 50.0 111.963 -169.161 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.92 -21.64 60.86 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.173 0.434 . . . . 50.0 112.173 -175.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -95.41 -32.97 12.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 25.0 111.317 176.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 77.66 73.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 123.469 0.708 . . . . 50.0 109.886 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.63 -19.94 36.08 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 117.846 -0.969 . . . . 50.0 112.136 -178.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.37 -16.42 60.38 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 177.274 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.92 -51.08 20.09 Favored Pre-proline 0 N--CA 1.467 0.406 0 O-C-N 121.42 -0.8 . . . . 50.0 113.037 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.52 -20.67 47.34 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 113.184 -4.077 . . . . 50.0 113.474 177.796 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.07 -15.74 63.04 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.924 0.342 . . . . 50.0 111.924 178.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.6 -20.59 56.6 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.951 -0.468 . . . . 50.0 110.427 176.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.08 16.37 40.49 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 114.671 0.628 . . . . 50.0 114.671 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.9 m -139.29 134.14 32.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -174.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.09 100.8 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.81 1.291 . . . . 50.0 109.531 -176.146 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 158.09 44.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 104.73 -2.322 . . . . 50.0 104.73 176.846 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.43 -29.66 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -173.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -72.52 -32.22 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 -176.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -78.13 -36.19 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.772 -0.825 . . . . 50.0 108.772 176.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -62.98 -26.91 69.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 50.0 112.327 177.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -54.43 -45.58 73.06 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.708 -0.478 . . . . 50.0 109.708 177.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -53.06 -34.01 54.58 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 113.369 0.877 . . . . 50.0 113.369 -177.718 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.29 -40.52 82.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.604 . . . . 50.0 110.178 -177.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.65 -33.69 41.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.408 -0.901 . . . . 50.0 111.019 -179.32 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -39.72 94.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.17 -45.26 92.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.884 -0.598 . . . . 50.0 111.656 178.001 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.43 -40.24 90.35 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 178.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.36 -43.41 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.905 0.335 . . . . 50.0 111.905 -177.307 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.0 -46.16 90.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.48 . . . . 50.0 109.745 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.302 0.572 . . . . 50.0 110.219 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.82 -39.08 93.0 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.31 -0.405 . . . . 50.0 111.86 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -34.94 70.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.756 -0.59 . . . . 50.0 109.611 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.5 m -65.7 -46.21 79.86 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 179.218 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 2.41 6.39 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 119.052 2.982 . . . . 50.0 119.052 -173.134 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.97 179.42 48.83 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 116.871 1.509 . . . . 50.0 116.871 175.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.19 -9.64 26.41 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.397 2.731 . . . . 50.0 115.307 -176.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.5 -20.04 60.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.033 0.444 . . . . 50.0 111.239 177.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -108.59 -36.99 6.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.937 -0.574 . . . . 50.0 111.345 -171.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.64 131.09 24.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 105.1 -2.185 . . . . 50.0 105.1 168.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -82.48 152.06 15.43 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 115.62 -2.454 . . . . 50.0 113.14 -179.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.85 -22.93 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.857 -0.527 . . . . 50.0 111.734 177.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 t -70.15 -24.91 63.24 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.584 -0.698 . . . . 25.0 111.157 178.29 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.95 79.67 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 120.203 -0.599 . . . . 25.0 110.69 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -70.4 -33.84 71.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.563 0.697 . . . . 50.0 110.685 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.727 -0.842 . . . . 50.0 108.727 -179.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.63 -39.28 84.66 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.888 -0.596 . . . . 50.0 110.228 176.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -59.15 -39.82 83.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.067 0.46 . . . . 50.0 110.71 178.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -66.58 -28.56 68.61 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tt -64.74 -47.4 78.37 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.467 -0.938 . . . . 50.0 108.467 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.78 -32.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 -179.204 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.82 -47.37 80.45 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 110.133 -0.321 . . . . 50.0 110.133 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.28 -24.76 54.46 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.871 -1.132 . . . . 50.0 110.918 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.84 -43.6 95.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.181 -0.324 . . . . 50.0 111.712 174.159 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.49 -42.84 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.922 -0.399 . . . . 50.0 109.922 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.79 -31.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.442 0.639 . . . . 50.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -110.98 23.55 14.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 50.0 111.772 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -59.38 -28.16 66.63 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 -175.317 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -74.01 -16.7 61.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.995 0.739 . . . . 50.0 112.995 -171.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -113.43 8.35 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.51 0.671 . . . . 50.0 109.684 175.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -129.91 78.04 75.68 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.69 -0.686 . . . . 50.0 109.347 178.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.14 -23.39 45.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 N-CA-C 115.81 1.427 . . . . 50.0 115.81 -173.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -67.39 -35.12 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.654 -0.654 . . . . 50.0 109.583 178.379 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 120.421 -0.511 . . . . 50.0 110.46 177.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.51 -39.05 92.29 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.854 -0.529 . . . . 50.0 111.505 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.78 68.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 177.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.26 -34.89 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.118 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.62 -52.7 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.081 -1.081 . . . . 50.0 108.081 177.021 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.09 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.192 -178.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.78 -37.99 89.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.202 -0.599 . . . . 50.0 111.633 178.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -68.47 -39.72 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.777 -0.769 . . . . 25.0 108.943 -178.743 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.64 -41.34 90.27 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.28 -0.168 . . . . 50.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.88 -37.81 70.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.143 0.794 . . . . 50.0 113.143 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.06 -35.55 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 178.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.39 -22.8 67.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.291 0.849 . . . . 50.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.32 -22.43 62.82 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.085 0.402 . . . . 50.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -83.48 -12.55 56.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.246 0.546 . . . . 50.0 111.327 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.13 168.86 10.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.491 -0.777 . . . . 50.0 112.69 -173.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -141.01 -167.89 2.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.107 -1.442 . . . . 50.0 107.107 -178.606 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.64 -35.92 75.35 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.651 -0.499 . . . . 50.0 109.651 174.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 m 47.94 45.03 18.97 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 123.127 1.442 . . . . 25.0 113.251 174.743 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -84.81 135.29 34.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.882 -1.508 . . . . 50.0 107.349 176.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -158.49 -179.42 8.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.993 -1.854 . . . . 50.0 105.993 -174.617 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -67.61 68.05 0.1 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.52 1.304 . . . . 50.0 114.52 179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 111.47 1.29 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 174.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.95 -5.14 8.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.431 1.641 . . . . 25.0 115.431 -171.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t60 48.67 35.05 5.66 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.466 2.025 . . . . 25.0 116.466 164.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.4 3.92 1.55 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 117.851 2.537 . . . . 25.0 117.851 -172.007 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 47.93 -104.57 0.12 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 118.244 -0.884 . . . . 25.0 110.356 -170.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 . . . . . 0 C--O 1.253 1.243 0 CA-C-O 115.078 -2.392 . . . . 25.0 107.097 -174.366 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.179 0 N-CA-C 111.177 -0.769 . . . . 50.0 111.177 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.96 -39.18 79.65 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.521 -0.399 . . . . 50.0 109.998 177.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -33.6 75.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 50.0 109.987 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.7 -40.84 61.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.211 -0.306 . . . . 50.0 110.762 178.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -59.98 -29.19 68.28 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.662 0.616 . . . . 50.0 112.662 172.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -84.35 -19.09 34.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.127 -0.358 . . . . 50.0 111.876 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -83.2 90.89 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.893 -0.504 . . . . 50.0 110.962 -178.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -40.63 29.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.971 1.471 . . . . 50.0 114.971 -175.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -62.36 -36.99 83.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.009 0.744 . . . . 50.0 113.009 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -78.88 -37.94 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 179.43 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.03 -37.91 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 175.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -59.74 -44.17 93.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 122.059 -0.401 . . . . 50.0 111.46 178.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.51 76.53 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.71 -23.47 66.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -179.041 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.19 -23.3 66.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 50.0 109.572 176.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -83.74 -54.3 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.837 -0.431 . . . . 50.0 109.837 173.108 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.19 87.53 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.968 1.469 . . . . 25.0 114.968 -174.123 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -37.41 83.03 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 178.722 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.43 -36.15 58.13 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.762 1.023 . . . . 50.0 113.762 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -67.3 -25.51 66.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.553 0.615 . . . . 25.0 112.135 -176.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.33 59.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.453 -0.499 . . . . 50.0 109.696 175.001 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.07 14.83 82.21 Favored Glycine 0 C--O 1.231 -0.08 0 N-CA-C 111.294 -0.722 . . . . 50.0 111.294 -178.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -85.07 121.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.027 0.918 . . . . 50.0 109.122 -177.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -86.2 84.74 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 50.0 110.51 -177.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.28 159.11 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.8 161.25 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.565 -1.642 . . . . 50.0 106.565 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.95 -38.12 81.54 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.902 -0.499 . . . . 50.0 110.142 174.371 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.58 78.3 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.046 0.45 . . . . 25.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -72.66 -38.0 67.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.716 -0.674 . . . . 50.0 109.339 -175.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -54.18 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.466 0.913 . . . . 50.0 113.466 -175.473 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.93 -21.56 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -53.69 -38.08 63.86 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.232 0.539 . . . . 50.0 110.501 173.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.44 -23.9 39.95 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.654 0.612 . . . . 50.0 112.654 -178.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.9 -34.47 77.85 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 173.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -37.17 82.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 50.0 110.312 -179.374 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.19 -38.68 92.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.889 -0.596 . . . . 50.0 112.557 -179.027 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -26.52 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.802 -0.562 . . . . 50.0 111.295 -178.725 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -62.76 -36.08 81.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.972 -0.381 . . . . 50.0 109.972 -176.139 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.85 -52.82 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 50.0 111.765 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -26.77 65.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.707 0.765 . . . . 25.0 112.883 -176.462 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.5 m -129.35 78.0 76.55 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.774 -0.648 . . . . 50.0 110.894 178.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.36 -18.62 29.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-O 121.581 0.575 . . . . 50.0 112.777 -178.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -19.33 59.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 50.0 111.704 176.514 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.54 -53.58 28.7 Favored Pre-proline 0 CA--C 1.544 0.73 0 O-C-N 121.676 -0.64 . . . . 50.0 111.522 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.42 -24.28 22.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.941 -3.572 . . . . 50.0 113.693 175.326 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.24 -43.39 95.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 50.0 111.432 -178.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -80.89 -19.56 44.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 50.0 110.089 178.795 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.79 31.92 73.05 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 121.394 -0.431 . . . . 50.0 113.807 174.811 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m -125.84 128.92 48.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.546 0.673 . . . . 25.0 109.563 -175.648 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -122.75 104.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.563 1.173 . . . . 50.0 110.519 -173.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -146.59 161.4 40.59 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.422 -1.325 . . . . 50.0 107.422 176.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -60.35 -39.09 79.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 119.294 -0.384 . . . . 50.0 111.515 -175.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -60.69 -29.07 69.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.543 0.61 . . . . 50.0 112.098 -179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -83.03 -36.96 24.55 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 122.409 -0.182 . . . . 50.0 110.593 175.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -64.67 -29.03 70.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.09 0.774 . . . . 50.0 113.09 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -59.73 -47.21 86.55 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.767 0.794 . . . . 75.0 109.28 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.84 -31.0 64.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 113.842 -1.526 . . . . 50.0 113.313 177.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.71 -37.24 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.767 -0.827 . . . . 50.0 108.767 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -37.17 61.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.437 -0.801 . . . . 50.0 111.539 178.338 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -64.41 -34.8 79.01 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 175.864 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -45.27 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.647 0.261 . . . . 50.0 110.831 177.025 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.38 -36.71 84.79 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.347 -0.541 . . . . 50.0 109.746 177.774 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -66.32 -41.29 89.88 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.404 -0.362 . . . . 50.0 111.006 -177.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -72.51 -37.22 68.42 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.553 0.692 . . . . 50.0 110.82 -179.222 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.03 -38.17 90.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.272 -1.01 . . . . 50.0 108.272 175.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.0 -36.12 77.46 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.957 -0.565 . . . . 50.0 110.812 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.39 -35.4 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.716 -0.615 . . . . 50.0 109.675 178.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 m -76.63 -42.87 40.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.854 0.686 . . . . 25.0 112.854 -176.687 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -123.42 1.78 9.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.767 2.136 . . . . 50.0 116.767 -172.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.07 -171.56 52.35 Favored Glycine 0 C--O 1.245 0.823 0 N-CA-C 115.318 0.887 . . . . 50.0 115.318 177.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.26 -8.07 22.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.655 1.57 . . . . 50.0 113.059 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -69.19 -17.47 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.606 . . . . 50.0 110.997 179.358 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -116.36 -43.75 2.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.377 0.51 . . . . 50.0 112.377 -178.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.51 131.01 22.52 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 107.187 -1.412 . . . . 50.0 107.187 177.106 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.9 151.67 21.59 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 115.184 -2.744 . . . . 50.0 111.509 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.55 -20.63 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 O-C-N 121.781 -0.574 . . . . 50.0 110.918 177.599 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -74.01 -18.86 60.8 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.592 -0.692 . . . . 25.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.66 84.41 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 119.914 -0.715 . . . . 25.0 109.168 178.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.09 -31.35 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 50.0 110.856 178.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -70.99 -45.39 64.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.724 -0.671 . . . . 50.0 109.912 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -59.42 -37.5 78.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.478 -0.328 . . . . 50.0 111.572 179.522 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -64.16 -32.18 73.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.613 -0.267 . . . . 50.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.43 -38.81 91.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.102 0.477 . . . . 50.0 111.213 178.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.46 -32.08 21.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 177.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -59.21 -46.4 88.54 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.775 -0.578 . . . . 50.0 109.946 179.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -70.41 -29.53 66.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.296 0.498 . . . . 50.0 110.639 -179.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -54.78 42.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 50.0 110.21 175.193 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.08 -36.5 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.632 -0.427 . . . . 50.0 110.367 -175.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.52 -33.22 67.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 50.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -118.77 31.42 6.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.411 0.523 . . . . 50.0 112.411 179.156 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -66.52 -23.19 66.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.288 0.566 . . . . 50.0 109.914 176.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.78 -28.28 68.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.998 1.111 . . . . 50.0 113.998 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.87 11.43 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.086 0.47 . . . . 50.0 111.255 -176.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -130.79 100.02 17.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.607 -0.27 . . . . 50.0 111.493 -177.145 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.67 -27.23 27.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 N-CA-C 115.59 1.342 . . . . 50.0 115.59 -176.554 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -64.58 -38.41 90.93 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.558 -0.904 . . . . 50.0 108.558 177.701 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -72.66 -50.85 31.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.732 -0.667 . . . . 50.0 110.97 178.636 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -62.32 -32.69 73.48 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.256 -0.278 . . . . 50.0 111.022 -173.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.62 80.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 122.006 -0.434 . . . . 25.0 110.567 174.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -37.89 67.24 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.11 -52.92 54.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 -178.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.83 98.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.245 0.341 . . . . 25.0 110.148 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.52 -39.59 94.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 120.62 -0.432 . . . . 50.0 111.759 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.4 m -69.66 -35.74 75.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.771 -0.772 . . . . 25.0 109.297 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.06 -40.84 95.2 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 122.025 -0.422 . . . . 50.0 110.361 175.238 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.07 -46.38 77.92 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.166 0.508 . . . . 50.0 111.53 176.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.81 -40.01 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 50.0 110.797 -175.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -37.71 88.38 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 121.037 -0.265 . . . . 50.0 110.921 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -73.86 -31.47 63.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.0 t -83.28 -49.01 9.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.183 0.516 . . . . 50.0 111.64 -179.472 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.05 -8.67 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 118.848 2.907 . . . . 50.0 118.848 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.0 t -154.55 147.55 24.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.413 -0.804 . . . . 50.0 110.921 176.53 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -98.96 38.71 1.35 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 175.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.4 m 53.83 43.86 30.36 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 -179.154 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -159.12 168.01 27.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 104.775 -2.306 . . . . 50.0 104.775 171.387 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.46 134.3 55.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.924 0.869 . . . . 50.0 112.336 -177.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -68.28 145.54 54.14 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.542 -1.208 . . . . 50.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.69 7.85 1.16 Allowed 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.282 1.216 . . . . 25.0 114.282 177.223 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -67.81 114.39 6.36 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -74.16 72.73 1.73 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.708 0.766 . . . . 25.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.5 118.68 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.467 -0.788 . . . . 25.0 109.773 -177.382 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 155.07 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 172.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 . . . . . 0 C--O 1.255 1.343 1 N-CA-C 99.626 -4.212 . . . . 25.0 99.626 176.351 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.139 0 N-CA-C 111.716 -0.554 . . . . 50.0 111.716 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -67.75 -36.76 81.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.425 -0.456 . . . . 50.0 111.233 179.443 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.49 -30.82 47.43 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 119.554 -0.858 . . . . 50.0 110.086 178.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.68 -41.04 98.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.894 -0.503 . . . . 50.0 111.028 178.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -13.56 18.68 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.555 1.317 . . . . 50.0 114.555 176.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -122.89 24.09 9.14 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.839 0.828 . . . . 50.0 110.377 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -115.31 85.54 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.487 -2.042 . . . . 50.0 105.487 174.28 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -50.59 -37.33 39.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 116.927 2.195 . . . . 50.0 116.927 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -55.41 -38.09 68.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.052 0.842 . . . . 50.0 111.596 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -81.07 -36.06 30.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 50.0 109.881 -179.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.96 -39.73 80.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.546 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.76 -42.28 88.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.878 0.763 . . . . 50.0 111.522 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.24 -41.02 99.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.671 -0.492 . . . . 50.0 109.671 177.663 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.78 -23.75 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.556 0.947 . . . . 50.0 113.556 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.99 -35.86 77.93 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 107.635 -1.246 . . . . 50.0 107.635 178.371 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.71 -45.56 13.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.571 . . . . 50.0 110.644 176.312 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.0 87.71 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.074 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.34 -37.16 77.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.315 -0.624 . . . . 75.0 109.315 178.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -73.84 -26.35 60.54 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 114.015 1.117 . . . . 50.0 114.015 179.534 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.5 p -63.36 -28.3 69.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.923 0.783 . . . . 25.0 113.03 -175.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -6.89 50.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.96 0.41 . . . . 50.0 110.982 179.051 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.18 3.81 57.94 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 114.266 0.466 . . . . 50.0 114.266 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -80.76 106.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.712 -0.847 . . . . 50.0 108.712 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -81.95 84.5 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 50.0 111.071 -176.399 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 176.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -73.6 147.84 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 179.248 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -47.89 76.24 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 111.485 0.18 . . . . 50.0 111.485 177.552 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.51 74.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 120.754 0.312 . . . . 25.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.455 -0.572 . . . . 50.0 109.455 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -53.66 8.69 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.189 -0.604 . . . . 50.0 111.409 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.89 -19.98 61.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.973 0.731 . . . . 50.0 112.973 178.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -55.15 -39.13 69.13 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.862 -0.524 . . . . 50.0 110.403 172.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -79.36 -23.91 43.05 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.959 -0.463 . . . . 50.0 111.64 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -70.68 -22.24 62.49 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 171.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.71 -34.61 22.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.786 -0.571 . . . . 50.0 110.491 177.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.16 -33.88 74.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.49 54.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 121.743 -0.598 . . . . 50.0 110.541 177.391 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -63.69 -32.6 74.14 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.891 -0.506 . . . . 50.0 112.079 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.1 -53.48 20.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.177 0.513 . . . . 50.0 110.666 178.74 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.73 -28.94 58.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -175.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.01 78.95 58.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 112.924 0.713 . . . . 50.0 112.924 -177.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -69.29 -15.53 38.92 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 118.262 -0.692 . . . . 50.0 112.077 177.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 177.352 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -65.13 -51.56 54.01 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 121.437 -0.79 . . . . 50.0 111.554 178.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.84 -20.1 30.15 Favored 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 113.083 -4.144 . . . . 50.0 113.481 176.347 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.6 -39.36 93.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.731 0.301 . . . . 50.0 111.37 179.249 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -67.98 -23.53 65.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 121.022 -0.271 . . . . 50.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.81 57.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.805 -0.236 . . . . 50.0 113.321 176.199 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -133.42 129.66 37.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 -173.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.9 mt -124.99 112.51 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.782 1.277 . . . . 50.0 109.683 -178.055 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -152.08 169.0 23.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 103.106 -2.924 . . . . 50.0 103.106 179.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -30.2 49.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 118.157 0.435 . . . . 50.0 110.957 178.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -67.59 -31.59 71.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.757 -0.589 . . . . 50.0 110.425 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -81.24 -39.84 24.7 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.207 0.527 . . . . 50.0 109.591 178.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 50.0 111.565 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.77 -36.9 80.1 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.147 -0.454 . . . . 50.0 111.181 176.111 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -53.78 -36.05 62.0 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 120.788 0.328 . . . . 50.0 111.434 176.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.41 -40.29 79.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.154 0.502 . . . . 50.0 110.674 -175.014 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -37.9 70.03 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.965 -1.254 . . . . 50.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.06 -41.9 98.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 177.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.88 91.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.757 -0.656 . . . . 50.0 112.592 179.427 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.43 -38.81 91.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 179.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -66.79 -41.58 87.39 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.874 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.65 -38.85 77.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.508 0.67 . . . . 50.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 176.767 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -67.65 -34.08 76.23 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.499 -0.318 . . . . 50.0 110.579 175.73 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.53 -32.59 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 177.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -81.12 -43.59 19.19 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -176.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -123.26 5.73 9.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.457 1.651 . . . . 50.0 115.457 -174.222 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.27 -168.88 47.57 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 116.043 1.177 . . . . 50.0 116.043 174.752 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -61.67 -16.37 48.02 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.798 2.998 . . . . 50.0 115.301 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.71 -35.99 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.508 0.558 . . . . 50.0 112.508 -175.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -91.47 -43.41 9.72 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.335 -0.546 . . . . 50.0 110.487 178.458 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.62 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 105.879 -1.897 . . . . 50.0 105.879 174.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.43 155.82 14.26 Favored 'Trans proline' 0 CA--C 1.517 -0.339 0 C-N-CA 115.827 -2.316 . . . . 50.0 111.905 177.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.24 -21.72 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.77 -0.581 . . . . 50.0 110.914 176.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -73.5 -19.94 60.8 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.509 -0.745 . . . . 25.0 111.335 177.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.34 83.61 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 179.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -70.09 -34.08 72.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.217 0.532 . . . . 50.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -69.26 -44.09 72.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.87 -0.789 . . . . 50.0 108.87 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -64.56 -44.0 92.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.792 -0.64 . . . . 50.0 109.398 176.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -58.03 -40.1 80.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.415 -0.357 . . . . 50.0 111.713 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.43 -30.69 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.463 -179.393 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.07 -45.09 82.53 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.129 -0.693 . . . . 50.0 109.129 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.94 -31.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.513 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -58.61 -45.32 89.43 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 119.0 -0.524 . . . . 50.0 109.996 179.408 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -27.95 62.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 119.109 0.868 . . . . 50.0 111.125 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -41.29 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.139 -0.224 . . . . 50.0 110.748 176.798 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.85 -39.23 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.808 -0.357 . . . . 50.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.24 -33.62 67.75 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.837 0.351 . . . . 50.0 110.868 -178.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -120.33 33.57 5.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.226 0.536 . . . . 50.0 111.994 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -66.53 -19.13 65.71 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.181 0.515 . . . . 50.0 110.366 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.62 -31.39 72.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 178.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.26 7.47 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.647 0.737 . . . . 50.0 109.869 179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -126.97 79.77 72.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 178.496 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.01 -18.77 46.21 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 117.489 -1.207 . . . . 50.0 113.957 -176.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.62 -44.91 89.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.608 -0.886 . . . . 50.0 108.608 179.475 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.91 -29.02 9.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 C-N-CA 120.087 -0.645 . . . . 50.0 110.504 -179.796 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -60.02 -40.76 90.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.453 0.57 . . . . 50.0 110.241 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.019 -0.426 . . . . 25.0 110.59 176.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.65 -34.35 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.227 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.65 -49.16 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 177.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.41 98.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.388 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.69 -36.2 83.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.106 0.41 . . . . 50.0 112.106 178.004 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.6 m -66.95 -38.56 86.35 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.3 -35.3 79.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 119.083 -0.484 . . . . 50.0 111.439 176.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.14 -47.81 81.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.579 0.704 . . . . 50.0 110.221 176.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.2 mt -64.1 -32.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.502 -0.772 . . . . 50.0 109.909 -176.077 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.38 -27.46 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 175.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -81.58 -20.21 40.33 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.826 -0.546 . . . . 50.0 111.588 176.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.0 t -80.82 -15.45 56.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.514 0.673 . . . . 50.0 109.26 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 164.85 22.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 176.482 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -71.39 82.14 0.78 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.162 0.801 . . . . 50.0 113.162 -178.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -73.24 -34.65 66.0 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.742 1.016 . . . . 50.0 113.742 -178.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p 55.24 -178.15 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.498 2.036 . . . . 25.0 116.498 -178.299 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -83.27 -22.04 33.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.203 1.001 . . . . 50.0 112.623 -175.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt 60.58 143.65 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 117.984 2.587 . . . . 50.0 117.984 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -55.99 121.82 10.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.054 -1.43 . . . . 50.0 112.133 -176.035 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.1 m80 36.12 44.71 0.28 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.452 1.101 . . . . 25.0 113.871 -177.75 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.16 56.26 0.79 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.296 1.591 . . . . 25.0 115.296 -176.091 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -76.72 52.77 0.85 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -179.168 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.24 146.52 25.49 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 177.033 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -118.12 6.02 12.03 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.878 0.695 . . . . 25.0 112.878 -179.189 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.839 0 N-CA-C 103.899 -2.63 . . . . 25.0 103.899 177.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.512 H142 ' HH ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.182 0 N-CA-C 114.093 0.397 . . . . 50.0 114.093 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.66 -42.6 77.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.16 -0.612 . . . . 50.0 110.098 -174.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -71.35 -30.49 66.23 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.302 -178.738 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.52 -38.93 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.984 -0.448 . . . . 50.0 110.401 176.132 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.52 -8.11 31.22 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.402 0.89 . . . . 50.0 113.402 175.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -108.8 -13.3 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 50.0 111.282 179.405 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -81.06 94.17 6.54 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 122.107 -0.37 . . . . 50.0 110.179 -178.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -43.66 -44.92 6.68 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.855 1.798 . . . . 50.0 115.855 -173.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.8 -34.18 74.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.521 0.676 . . . . 50.0 112.105 -178.171 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HH ' H142 ' A' ' 1' ' ' MYR . 82.3 t80 -83.75 -39.83 19.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 50.0 109.256 -179.403 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.3 -41.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.67 -0.695 . . . . 50.0 110.729 177.424 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.61 -43.66 93.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.994 0.816 . . . . 50.0 111.572 178.771 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.45 -41.54 96.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.276 -0.638 . . . . 50.0 109.276 178.216 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.48 -23.62 65.51 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.1 0.778 . . . . 50.0 113.1 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.05 -33.45 75.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.87 -45.2 13.5 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.46 -0.336 . . . . 50.0 110.297 177.349 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.09 96.44 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 -176.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.79 88.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.116 -1.068 . . . . 50.0 108.116 176.647 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.34 -43.62 85.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.238 0.459 . . . . 50.0 112.238 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -68.63 -18.67 64.34 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -177.614 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -21.56 61.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 176.094 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.05 22.54 78.77 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.023 -0.608 . . . . 50.0 113.604 176.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.26 143.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 50.0 110.085 -176.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -83.19 84.44 7.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 50.0 110.166 -178.1 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -131.5 132.77 62.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.156 -1.794 . . . . 50.0 106.156 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -79.0 158.74 27.88 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 107.593 -1.262 . . . . 50.0 107.593 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.03 -46.28 78.88 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 121.937 -0.477 . . . . 50.0 110.484 173.88 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.67 76.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -67.7 -43.46 80.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 -176.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.58 -55.3 10.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.316 0.579 . . . . 50.0 111.78 -177.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.0 -19.83 65.47 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.766 0.654 . . . . 50.0 112.766 -177.301 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -60.17 -32.0 70.64 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 119.961 -0.696 . . . . 50.0 110.623 173.278 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.9 -23.81 36.06 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.571 -0.705 . . . . 50.0 111.776 178.315 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.36 -25.65 65.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.614 -1.254 . . . . 50.0 107.614 169.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.65 -22.78 37.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.153 0.501 . . . . 50.0 111.258 176.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -71.94 -41.28 68.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.809 -0.557 . . . . 50.0 109.732 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.17 -26.43 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 122.091 -0.381 . . . . 50.0 110.082 177.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.64 -39.25 76.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.747 0.308 . . . . 50.0 110.35 176.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.5 -55.24 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.804 -0.635 . . . . 50.0 112.684 -178.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -24.54 62.79 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -174.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.85 76.76 70.78 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 50.0 109.817 176.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.9 -12.76 28.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.72 0.633 . . . . 50.0 112.327 -177.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -17.9 38.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.63 -0.714 . . . . 50.0 111.82 176.523 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.81 -49.21 87.02 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -177.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.09 -20.46 37.94 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 113.061 -4.16 . . . . 50.0 113.954 177.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.75 -15.64 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.889 0.329 . . . . 50.0 111.889 178.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -77.99 -30.62 50.26 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.613 -0.435 . . . . 50.0 110.342 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.22 20.52 58.48 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.159 -0.543 . . . . 50.0 111.749 -175.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -131.22 127.33 37.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -173.165 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -128.81 105.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.799 1.285 . . . . 50.0 109.757 -177.667 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -146.77 166.91 25.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 104.646 -2.353 . . . . 50.0 104.646 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.46 -30.2 47.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.871 -0.418 . . . . 50.0 109.871 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -65.73 -27.4 68.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.253 -0.279 . . . . 50.0 111.622 179.58 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.59 -49.0 8.37 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.631 0.729 . . . . 50.0 109.126 175.072 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -59.14 -35.83 74.16 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 114.854 1.428 . . . . 50.0 114.854 -175.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -58.41 -36.71 73.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.953 0.406 . . . . 50.0 111.942 -176.621 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -63.87 -21.02 66.26 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.45 1.278 . . . . 50.0 114.45 177.042 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 -37.72 80.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -35.13 64.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.871 -0.892 . . . . 50.0 110.871 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.13 -41.51 98.33 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 176.509 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -43.47 96.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.43 -0.805 . . . . 50.0 111.958 179.098 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -63.89 -38.18 90.15 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -68.05 -39.6 82.99 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 121.069 -0.252 . . . . 50.0 110.636 -177.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.27 -45.01 93.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.633 0.73 . . . . 50.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.25 -35.2 79.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -65.61 -37.29 86.18 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.281 -0.418 . . . . 50.0 110.652 176.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.03 -33.55 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.883 -0.511 . . . . 50.0 111.659 -177.123 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -69.64 -42.77 73.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -175.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.24 1.66 6.41 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.598 1.703 . . . . 50.0 115.598 -174.249 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.94 -162.86 48.97 Favored Glycine 0 C--O 1.243 0.709 0 C-N-CA 120.756 -0.735 . . . . 50.0 113.371 -178.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.64 -7.31 21.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 121.179 1.253 . . . . 50.0 114.386 -178.018 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -74.9 -5.82 45.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.225 0.536 . . . . 50.0 111.174 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -115.46 -46.5 2.87 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.365 0.506 . . . . 50.0 112.365 179.317 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.16 131.04 24.47 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.187 -2.153 . . . . 50.0 105.187 176.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -76.63 153.51 34.29 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 114.612 -3.125 . . . . 50.0 111.382 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.83 -20.95 28.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 121.841 -0.537 . . . . 50.0 110.625 177.07 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.2 -17.95 60.83 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.661 -0.65 . . . . 25.0 111.593 177.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.2 82.96 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.571 -0.706 . . . . 25.0 109.478 178.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -72.67 -28.63 62.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.304 0.573 . . . . 50.0 110.738 178.152 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -73.97 -44.45 54.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.815 -0.809 . . . . 50.0 108.815 179.591 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.57 -43.12 99.59 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.694 -0.685 . . . . 50.0 109.221 175.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -57.9 -37.99 75.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.735 0.302 . . . . 50.0 111.211 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -69.42 -30.51 68.48 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.438 -0.346 . . . . 50.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.3 -44.16 88.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 50.0 110.172 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.97 -31.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.183 0.516 . . . . 25.0 109.795 179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -52.6 -51.14 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.22 -0.3 . . . . 50.0 111.313 179.425 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.2 -29.38 66.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.226 -0.589 . . . . 50.0 111.578 -178.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.41 -40.07 89.35 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.224 -0.297 . . . . 50.0 111.2 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -77.24 -42.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.724 -0.473 . . . . 50.0 109.724 178.159 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.22 -36.99 78.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 50.0 110.717 -176.463 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -113.87 38.64 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.08 -25.22 65.23 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.226 0.536 . . . . 50.0 109.784 176.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.95 -30.09 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.18 1.178 . . . . 50.0 114.18 -179.18 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.21 7.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 121.516 0.674 . . . . 50.0 110.063 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -125.46 78.07 68.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.336 -0.987 . . . . 50.0 108.336 176.677 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -19.07 42.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.465 -1.224 . . . . 50.0 114.406 -175.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.359 -0.978 . . . . 50.0 108.359 178.163 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.02 -27.12 14.77 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 C-N-CA 119.98 -0.688 . . . . 50.0 110.589 -177.628 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -41.56 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.809 0.731 . . . . 50.0 110.669 178.019 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.65 -27.92 68.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.086 0.47 . . . . 25.0 110.419 176.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.42 -30.47 53.5 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.77 -48.21 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 107.799 -1.186 . . . . 50.0 107.799 176.376 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.85 98.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.08 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.62 -40.79 96.12 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.438 -0.505 . . . . 50.0 111.479 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -66.86 -37.76 85.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.0 -39.9 93.8 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.001 -0.437 . . . . 50.0 110.664 177.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.27 -41.2 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.235 -0.29 . . . . 50.0 111.546 178.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.06 -37.76 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.59 -36.28 80.21 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.13 -0.356 . . . . 50.0 111.276 176.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -74.82 -22.15 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.109 -0.37 . . . . 50.0 111.768 177.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.5 t -83.5 -17.09 43.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.189 0.519 . . . . 50.0 110.106 176.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -80.83 175.39 10.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.215 -1.402 . . . . 50.0 107.215 176.609 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 m -67.61 92.8 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.61 0.966 . . . . 50.0 113.61 -178.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.3 68.8 5.39 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.613 -0.884 . . . . 50.0 108.613 173.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.2 m -55.47 118.06 4.13 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 121.728 0.775 . . . . 25.0 111.599 -175.255 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 119' ' ' GLU . 16.4 p-10 -82.61 84.33 7.3 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 123.076 1.417 . . . . 50.0 109.358 -178.45 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.5 mt -67.13 4.49 0.9 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 115.273 1.582 . . . . 50.0 115.273 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 117' ' ' ASP . 3.4 tm-20 69.74 -45.85 0.58 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 117.151 2.278 . . . . 50.0 117.151 169.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -66.68 53.78 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 117.135 2.272 . . . . 25.0 117.135 -173.519 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.92 107.32 3.48 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.005 0.922 . . . . 25.0 109.362 175.31 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.48 73.28 0.9 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.167 0.508 . . . . 25.0 109.751 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.21 105.02 2.81 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 118.862 -0.59 . . . . 25.0 109.422 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 39.0 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -179.149 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.24 -1.362 . . . . 25.0 108.107 174.791 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.143 0 N-CA-C 112.712 -0.155 . . . . 50.0 112.712 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.15 -36.65 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.927 0.363 . . . . 50.0 111.451 178.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.24 -43.23 61.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.401 -0.963 . . . . 50.0 108.401 176.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.7 -41.87 91.75 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 111.801 0.297 . . . . 50.0 111.801 -177.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -59.77 -24.4 64.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.741 1.756 . . . . 50.0 115.741 172.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -98.2 -14.08 20.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 50.0 110.333 -178.708 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -80.51 75.95 7.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.164 -0.68 . . . . 50.0 109.164 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.66 -33.61 10.3 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 115.232 1.567 . . . . 50.0 115.232 -173.246 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -62.07 -33.21 73.99 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.224 -0.923 . . . . 50.0 112.303 177.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -83.64 -38.06 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 177.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.29 -39.62 68.85 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 CA-C-O 118.892 -0.575 . . . . 50.0 110.105 176.33 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -55.69 -45.01 77.89 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.343 0.974 . . . . 50.0 112.039 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -69.07 -34.47 75.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.822 -0.549 . . . . 50.0 110.226 178.707 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.244 -0.583 . . . . 50.0 112.144 175.041 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.59 -38.68 91.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 177.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.89 -48.37 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 176.169 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.03 92.41 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.68 -39.06 90.92 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 178.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.07 -45.88 83.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.938 0.347 . . . . 50.0 111.938 -179.151 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -70.97 -18.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.569 -0.453 . . . . 25.0 111.057 -179.099 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -26.31 57.48 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.233 -0.292 . . . . 50.0 110.513 176.479 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 11.38 74.86 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 111.072 -0.811 . . . . 50.0 111.072 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.19 125.66 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.71 0.767 . . . . 50.0 110.345 -172.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.7 84.64 3.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.719 -1.215 . . . . 50.0 107.719 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -147.59 139.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 104.441 -2.429 . . . . 50.0 104.441 -179.046 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.92 138.45 58.38 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 178.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -51.37 25.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.135 1.161 . . . . 50.0 114.135 -179.568 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.79 -29.04 69.88 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 120.924 0.392 . . . . 25.0 111.259 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.56 -19.34 45.88 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.535 -0.302 . . . . 50.0 111.513 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.61 -52.19 8.3 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.552 -1.277 . . . . 50.0 107.552 173.097 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.8 -33.32 48.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.251 -0.886 . . . . 50.0 112.976 176.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -49.78 -38.04 32.52 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.757 0.651 . . . . 50.0 112.757 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -73.16 -24.26 60.55 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.657 -0.652 . . . . 50.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -73.37 -24.21 60.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.791 -0.568 . . . . 50.0 110.228 174.068 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.26 -29.58 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.462 0.649 . . . . 50.0 109.331 177.31 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.88 -34.09 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.288 178.342 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.11 -30.74 42.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.161 -0.616 . . . . 50.0 109.817 177.299 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -37.68 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.988 -0.745 . . . . 50.0 108.988 178.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.98 -47.91 34.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.496 -0.775 . . . . 50.0 111.154 -179.408 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -72.71 -38.23 67.56 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -176.397 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 82.74 45.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 122.134 -0.353 . . . . 50.0 110.225 -178.157 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.6 -16.75 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 CA-C-O 121.669 0.612 . . . . 50.0 112.037 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -11.04 59.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.018 176.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -71.17 -52.72 8.93 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.394 -0.816 . . . . 50.0 111.857 177.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.45 -20.06 48.45 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 113.61 -3.793 . . . . 50.0 113.453 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -63.16 -25.11 68.19 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.597 0.359 . . . . 50.0 111.951 177.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.03 -16.65 62.62 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.859 -0.526 . . . . 50.0 111.273 178.217 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.74 14.33 43.36 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 116.176 1.23 . . . . 50.0 116.176 174.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -137.88 140.06 40.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -173.303 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mm -114.18 113.65 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 122.895 1.331 . . . . 50.0 109.517 178.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -152.11 158.47 43.01 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.109 -1.405 . . . . 50.0 107.654 176.193 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.65 -29.95 48.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.367 -0.379 . . . . 50.0 111.231 -176.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -66.26 -33.16 75.11 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.065 -0.397 . . . . 50.0 110.063 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -81.38 -33.87 32.03 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.589 -0.523 . . . . 50.0 109.589 178.238 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -63.78 -26.6 68.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 50.0 111.708 177.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -55.06 -46.62 75.42 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 176.127 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -57.61 -29.41 64.5 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 113.546 0.943 . . . . 50.0 113.546 -177.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.23 -40.15 80.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.594 0.711 . . . . 50.0 109.207 -179.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -35.94 59.12 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.499 -1.04 . . . . 50.0 110.499 178.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.1 -37.91 89.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 177.218 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -44.33 96.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 50.0 111.239 177.532 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.16 -38.0 89.18 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.271 -0.572 . . . . 50.0 109.524 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -64.29 -43.68 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.65 0.262 . . . . 50.0 110.739 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -62.86 -48.32 79.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.745 0.783 . . . . 50.0 109.628 -177.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -33.32 75.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.005 -0.543 . . . . 50.0 110.854 179.444 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -67.82 -36.91 81.21 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.907 -0.496 . . . . 50.0 110.906 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.784 -0.572 . . . . 50.0 109.868 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.5 m -69.67 -43.07 73.3 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.34 6.51 7.02 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.112 1.893 . . . . 50.0 116.112 -170.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.08 -177.69 50.04 Favored Glycine 0 C--O 1.243 0.715 0 N-CA-C 116.775 1.47 . . . . 50.0 116.775 174.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.66 -9.39 23.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.329 2.019 . . . . 50.0 114.604 -178.483 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.61 -20.51 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.301 0.572 . . . . 50.0 110.437 178.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -95.96 -49.43 5.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.656 -0.702 . . . . 50.0 111.573 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.82 130.95 24.19 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 106.301 -1.74 . . . . 50.0 106.301 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.99 153.97 22.45 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 115.317 -2.655 . . . . 50.0 111.782 178.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.47 -20.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.769 -0.582 . . . . 50.0 110.659 176.22 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.91 -19.92 61.17 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.618 -0.676 . . . . 25.0 111.197 177.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.75 83.81 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.499 0.59 . . . . 25.0 109.659 179.311 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -71.0 -30.37 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.324 0.583 . . . . 50.0 111.073 178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -74.82 -42.37 58.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 -179.746 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.41 -44.0 95.89 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.944 -0.762 . . . . 50.0 108.944 175.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.66 -36.99 75.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.168 0.509 . . . . 50.0 111.306 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -70.66 -36.03 73.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 122.892 0.477 . . . . 50.0 110.812 -177.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.77 -36.58 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.947 -0.569 . . . . 50.0 110.398 -179.228 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.97 -28.4 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.678 -0.237 . . . . 25.0 110.565 178.039 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -57.15 -41.92 80.03 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.578 -0.701 . . . . 50.0 110.711 -179.532 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.93 -24.7 59.71 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 50.0 110.971 -177.535 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.7 -40.29 63.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.324 -0.235 . . . . 50.0 110.966 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.5 mt -73.87 -39.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.64 -35.55 74.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.748 0.308 . . . . 50.0 110.3 -177.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -113.22 32.57 5.65 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 178.377 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -63.78 -23.71 67.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.45 0.643 . . . . 50.0 110.048 175.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -61.91 -24.06 66.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.305 1.224 . . . . 50.0 114.305 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.91 11.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.094 0.473 . . . . 50.0 110.735 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -129.62 85.55 58.21 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 121.047 0.451 . . . . 50.0 110.972 -177.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.26 -24.35 43.96 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 N-CA-C 116.892 1.843 . . . . 50.0 116.892 -171.36 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.52 -35.08 79.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.759 0.709 . . . . 50.0 109.405 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.83 -30.61 6.91 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 120.042 -0.663 . . . . 50.0 109.747 178.938 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -62.82 -35.91 81.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 50.0 111.377 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.33 70.95 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.042 -0.411 . . . . 25.0 110.698 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.63 -34.56 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.887 -0.782 . . . . 25.0 108.887 179.275 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.95 -49.8 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.521 -0.918 . . . . 50.0 108.521 176.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.83 94.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 25.0 110.504 -178.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.3 -36.57 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.038 0.384 . . . . 50.0 112.038 178.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.5 m -61.76 -44.14 97.48 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 178.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -58.18 -38.76 77.32 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.364 0.505 . . . . 50.0 112.364 176.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.85 -45.38 86.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.477 0.656 . . . . 50.0 110.564 178.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.45 -32.88 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.87 -0.605 . . . . 50.0 110.134 -177.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -31.66 71.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 178.344 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.28 -27.28 68.93 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 122.052 -0.405 . . . . 50.0 111.726 177.106 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -83.47 -18.69 37.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.122 0.487 . . . . 50.0 112.019 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -86.44 75.5 9.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.975 -0.75 . . . . 50.0 108.975 -178.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -60.83 -24.27 65.74 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -174.658 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -170.77 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.168 -1.378 . . . . 50.0 111.706 176.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.6 m 53.26 54.97 9.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 123.45 1.595 . . . . 25.0 109.922 179.575 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -75.56 50.13 0.53 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 112.78 -2.009 . . . . 50.0 115.095 -175.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -103.98 149.55 25.04 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.908 -0.495 . . . . 50.0 111.314 177.413 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.93 146.97 50.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 106.542 -1.651 . . . . 50.0 106.542 178.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.52 38.88 1.26 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -56.75 -31.14 64.29 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.727 -0.608 . . . . 25.0 112.447 178.075 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.32 -10.74 5.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -177.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -57.04 -64.83 0.75 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.938 -0.553 . . . . 25.0 112.383 178.401 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.9 m80 65.86 122.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.67 1.188 . . . . 25.0 112.369 -170.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.6 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 115.733 -2.079 . . . . 25.0 109.894 -179.477 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.219 0 N-CA-C 111.289 -0.724 . . . . 50.0 111.289 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.74 -39.87 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.752 -0.263 . . . . 50.0 110.57 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -71.2 -38.32 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.251 0.548 . . . . 50.0 111.331 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.27 -41.23 96.59 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.747 -0.595 . . . . 50.0 109.68 177.608 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 -8.79 56.27 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 174.814 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -98.59 -24.03 15.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.152 0.977 . . . . 50.0 108.891 -178.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -85.24 92.34 8.39 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.568 179.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -53.51 -28.6 31.96 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -178.634 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -57.66 -32.6 67.47 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.779 -0.576 . . . . 50.0 111.47 175.258 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -87.88 -40.86 13.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.225 0.61 . . . . 50.0 109.891 179.056 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.02 -36.69 63.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-N 115.679 -0.691 . . . . 50.0 109.781 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.82 -50.0 69.65 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.774 0.716 . . . . 50.0 112.722 178.312 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -64.37 -40.37 95.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.161 0.981 . . . . 50.0 109.166 178.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -23.58 63.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.422 -0.808 . . . . 50.0 113.027 -176.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -61.19 -40.27 93.3 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.217 -1.401 . . . . 50.0 107.217 178.247 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.31 -41.55 21.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 50.0 110.909 177.253 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.83 91.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.221 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.51 -39.6 91.55 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.223 -0.658 . . . . 50.0 109.223 177.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -29.67 26.67 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.401 1.26 . . . . 50.0 114.401 -175.548 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t -69.71 -18.06 63.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.632 0.651 . . . . 25.0 110.477 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.89 -14.68 59.86 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.929 -0.482 . . . . 50.0 110.389 174.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.11 -20.6 9.68 Favored Glycine 0 CA--C 1.517 0.2 0 CA-C-O 121.333 0.407 . . . . 50.0 113.567 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 t -76.02 124.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.014 -0.736 . . . . 50.0 109.014 -177.142 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -83.77 84.34 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.952 -0.467 . . . . 50.0 110.395 -176.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.3 153.03 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.176 0.513 . . . . 50.0 109.879 178.367 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.06 141.48 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.09 -1.819 . . . . 50.0 106.09 175.091 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -51.58 61.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -178.28 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.48 81.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -177.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.41 -34.15 58.82 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.913 -0.315 . . . . 50.0 110.346 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.85 -53.7 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.158 0.504 . . . . 50.0 110.254 -179.386 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.97 -20.91 66.36 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.537 0.569 . . . . 50.0 112.537 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -63.56 -28.53 70.0 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.395 -0.922 . . . . 50.0 110.169 175.508 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.28 -23.8 43.35 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.217 -0.927 . . . . 50.0 112.007 175.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.95 -36.9 78.47 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 106.171 -1.789 . . . . 50.0 106.171 172.075 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.71 -32.55 73.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.774 -1.103 . . . . 50.0 110.41 179.233 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.02 -37.89 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.113 -0.494 . . . . 50.0 111.558 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -29.12 45.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 119.787 -0.765 . . . . 50.0 109.998 179.58 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.33 -37.15 86.48 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.114 -177.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.1 -52.75 25.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.497 -0.774 . . . . 50.0 111.679 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -74.01 -29.26 61.85 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.27 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -124.01 75.14 58.19 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 50.0 111.26 -177.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.22 -17.07 40.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.043 -0.838 . . . . 50.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.48 -13.18 59.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 50.0 112.626 176.592 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -69.0 -54.36 12.35 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 121.311 -0.868 . . . . 50.0 111.573 177.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.18 -17.16 35.83 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 113.665 -3.757 . . . . 50.0 113.306 177.141 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.05 -33.61 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.386 0.274 . . . . 50.0 111.62 178.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.86 -21.99 61.59 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.989 -0.444 . . . . 50.0 110.868 177.496 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.4 20.3 36.67 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.149 0.82 . . . . 50.0 115.149 177.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -130.73 132.77 45.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.673 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mm -105.63 112.69 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 122.921 1.343 . . . . 50.0 109.967 179.568 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -149.74 161.04 43.0 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.872 -1.513 . . . . 50.0 107.197 174.336 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -67.08 -28.92 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.418 -0.355 . . . . 50.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 90.5 mttt -67.17 -34.94 78.6 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.903 -0.498 . . . . 50.0 109.889 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -70.38 -38.13 74.67 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.749 -0.834 . . . . 50.0 108.749 175.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -66.88 -27.53 67.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.867 0.691 . . . . 50.0 112.867 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 27.5 mmt180 -57.91 -47.36 83.05 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.65 -30.57 63.48 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -178.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.22 -41.07 88.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.703 . . . . 50.0 109.911 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -33.93 43.85 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.351 -0.928 . . . . 50.0 110.832 -179.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.93 -38.78 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.37 -44.51 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.812 -0.631 . . . . 50.0 111.658 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.18 -37.58 87.8 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 179.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.08 -41.55 86.17 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.304 -0.158 . . . . 50.0 111.01 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.53 -47.07 83.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.699 0.762 . . . . 50.0 109.095 -178.709 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -37.35 87.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.9 -0.591 . . . . 50.0 110.108 178.712 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.59 -37.03 84.05 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 122.185 -0.322 . . . . 50.0 111.517 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -34.44 63.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.472 -0.767 . . . . 50.0 109.755 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.7 m -67.84 -43.03 80.49 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.27 2.27 6.38 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 117.284 2.327 . . . . 50.0 117.284 -171.884 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.64 178.35 52.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.194 1.638 . . . . 50.0 117.194 174.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.38 -15.18 31.29 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.646 2.23 . . . . 50.0 113.862 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.64 -14.46 61.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.589 0.709 . . . . 50.0 109.738 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.03 -44.58 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.517 -0.765 . . . . 50.0 112.088 -178.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.72 130.88 23.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 107.444 -1.317 . . . . 50.0 107.444 178.204 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.19 149.49 19.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 115.219 -2.72 . . . . 50.0 112.722 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.58 -19.75 26.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 121.826 -0.546 . . . . 50.0 110.862 176.327 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.68 -19.03 61.49 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.605 -0.685 . . . . 25.0 111.221 177.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -37.64 88.09 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -71.6 -33.06 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.293 0.568 . . . . 50.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -69.05 -45.89 69.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.297 -0.631 . . . . 50.0 109.297 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.72 -41.62 98.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 50.0 109.885 176.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.11 -40.17 80.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.541 -0.3 . . . . 50.0 111.077 179.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.06 -29.32 70.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.665 0.617 . . . . 50.0 112.665 -179.399 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.01 -41.26 97.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.53 0.681 . . . . 50.0 109.85 179.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.69 -29.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 179.277 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.78 -52.61 64.36 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.97 -0.381 . . . . 50.0 109.97 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -67.35 -22.42 65.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.406 . . . . 50.0 112.095 -178.331 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.0 tp -79.77 -42.52 24.32 Favored 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 122.879 0.472 . . . . 50.0 111.445 -177.053 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.02 -34.91 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.623 -0.88 . . . . 50.0 108.623 176.287 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.61 -28.86 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.998 0.519 . . . . 50.0 110.968 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -122.84 32.67 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.11 0.481 . . . . 50.0 112.283 -179.084 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -63.15 -24.87 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.139 0.422 . . . . 50.0 112.139 179.693 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.3 -26.51 67.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -109.2 10.61 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.663 0.744 . . . . 50.0 109.835 177.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.1 81.51 62.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.261 -0.644 . . . . 50.0 109.261 178.691 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -65.75 -17.71 56.88 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.325 -1.316 . . . . 50.0 113.722 -178.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -63.45 -44.3 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.01 -0.737 . . . . 50.0 109.01 177.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -84.84 -25.25 6.99 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.986 179.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -39.39 80.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.979 0.809 . . . . 50.0 110.716 179.838 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.24 79.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.329 175.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.79 59.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 122.314 -0.241 . . . . 25.0 110.701 -178.439 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.02 -48.77 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 107.589 -1.263 . . . . 50.0 107.589 177.257 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.18 88.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.953 179.483 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.8 -38.52 90.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.039 -0.413 . . . . 50.0 111.393 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.1 m -63.64 -44.62 93.33 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.595 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.08 -46.67 85.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.697 -0.401 . . . . 50.0 111.441 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -64.07 -37.46 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 50.0 111.679 -178.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -70.32 -38.66 75.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.486 -0.561 . . . . 50.0 109.486 178.569 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.344 -0.222 . . . . 50.0 110.881 177.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -67.18 -30.05 69.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.224 0.535 . . . . 50.0 110.44 177.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t -83.4 -15.95 47.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.343 1.238 . . . . 50.0 114.343 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 113' ' ' ASN . 6.1 m120 -64.37 146.98 53.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.04 0.924 . . . . 50.0 112.464 -173.403 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.8 p -77.23 163.83 26.16 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.985 -1.007 . . . . 50.0 108.933 176.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -57.89 -35.79 71.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.759 -1.11 . . . . 50.0 111.364 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -137.95 142.36 40.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 176.13 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -141.12 12.23 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.48 0.712 . . . . 50.0 111.807 -173.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 pp -77.84 155.31 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.535 0.683 . . . . 50.0 112.576 -175.372 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.64 146.98 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.063 -0.717 . . . . 50.0 109.063 178.519 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.26 23.82 0.57 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.44 32.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -172.625 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -66.81 146.07 54.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.913 -0.492 . . . . 25.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -127.49 21.07 6.63 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -179.021 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 62.79 93.96 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.769 0.828 . . . . 25.0 110.087 -167.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 C--O 1.238 0.488 0 N-CA-C 105.069 -2.197 . . . . 25.0 105.069 172.088 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 0 CA-C-O 120.237 -0.202 . . . . 50.0 112.828 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -64.62 -36.89 85.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.374 0.587 . . . . 50.0 110.826 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.93 -28.12 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.295 0.569 . . . . 50.0 110.425 178.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.02 -38.87 92.3 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.881 -0.512 . . . . 50.0 110.575 175.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -8.48 45.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 172.82 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -94.76 -17.4 22.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.141 -0.688 . . . . 50.0 109.141 178.093 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.88 101.28 13.23 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 122.091 -0.381 . . . . 50.0 110.032 -179.51 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.86 -36.99 63.21 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 115.486 1.661 . . . . 50.0 115.486 -173.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -63.95 -37.33 87.02 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.939 0.791 . . . . 50.0 111.279 178.277 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -71.53 -43.6 66.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.751 0.786 . . . . 50.0 108.965 179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.69 -40.93 78.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 CA-C-N 114.847 -1.069 . . . . 50.0 109.748 176.729 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.23 -48.18 79.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.091 0.859 . . . . 50.0 112.229 179.178 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.65 -40.19 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 50.0 109.948 178.143 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -71.45 -24.12 61.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.419 0.896 . . . . 50.0 113.419 179.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -60.52 -41.83 95.21 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.626 -1.62 . . . . 50.0 106.626 175.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -74.84 -41.57 59.62 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.89 -0.596 . . . . 50.0 110.825 178.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.77 79.03 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -176.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.51 -37.73 88.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.549 -1.278 . . . . 50.0 107.549 177.135 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -63.64 -45.79 88.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.841 -0.618 . . . . 50.0 112.292 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 p -68.77 -20.8 64.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.246 0.476 . . . . 25.0 111.77 -178.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -74.4 -20.73 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 177.364 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.45 79.32 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 121.125 -0.559 . . . . 50.0 113.55 175.106 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -120.91 138.82 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.709 0.766 . . . . 50.0 110.441 -175.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -85.35 84.29 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.09 -0.505 . . . . 50.0 110.213 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.5 t -114.85 134.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.815 -1.55 . . . . 50.0 106.815 177.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -64.36 135.69 56.41 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.093 -1.817 . . . . 50.0 106.093 177.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -47.26 68.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 -178.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.27 70.55 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.86 179.068 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.92 -31.56 51.17 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 110.195 -0.298 . . . . 50.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.22 -52.55 32.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 176.229 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -20.05 66.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.973 1.101 . . . . 50.0 113.973 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.75 -40.04 72.0 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 173.44 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -77.02 -24.28 52.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.103 0.409 . . . . 50.0 112.103 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.8 -21.8 61.66 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.118 -0.697 . . . . 50.0 109.118 172.203 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.0 -38.46 25.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 176.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.0 -31.97 73.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.864 1.061 . . . . 50.0 113.864 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.871 -0.732 . . . . 50.0 109.478 177.289 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -64.51 -36.89 85.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.56 -0.712 . . . . 50.0 111.297 179.541 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.97 -35.63 81.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.152 0.501 . . . . 50.0 111.768 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -91.51 -25.68 19.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.758 0.789 . . . . 25.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.9 m -131.5 82.24 62.22 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 123.381 0.672 . . . . 50.0 110.747 -178.173 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.6 -21.42 34.26 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 117.789 -1.007 . . . . 50.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -18.44 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.494 -0.775 . . . . 50.0 113.016 178.169 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.79 -54.39 47.78 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 121.681 -0.637 . . . . 50.0 111.384 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.41 -15.96 22.05 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 113.953 -3.564 . . . . 50.0 114.29 176.44 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.08 -47.98 72.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.606 -0.516 . . . . 50.0 109.606 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.53 -37.03 60.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 175.124 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 69.65 10.43 63.86 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-N 115.234 -0.894 . . . . 50.0 114.854 176.446 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.457 ' HB ' HH11 ' A' ' 55' ' ' ARG . 22.8 m -82.73 116.25 22.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.749 0.775 . . . . 25.0 109.04 179.365 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -112.65 99.17 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 123.357 1.551 . . . . 50.0 111.116 -176.121 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.49 166.41 29.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 104.261 -2.496 . . . . 50.0 104.261 175.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tp -61.38 -28.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.538 0.209 . . . . 50.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -59.14 -38.92 80.84 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.787 -0.571 . . . . 50.0 111.027 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.457 HH11 ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -85.36 -38.22 19.0 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 120.466 0.174 . . . . 50.0 111.215 177.185 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -63.06 -30.55 71.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.832 0.308 . . . . 50.0 111.832 -178.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -60.97 -39.88 91.26 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.942 -0.474 . . . . 50.0 111.338 174.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.98 67.87 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.681 0.622 . . . . 50.0 112.681 177.197 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.88 -38.51 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 176.209 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.824 -0.91 . . . . 50.0 110.824 178.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -59.88 -42.73 94.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 175.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.73 96.53 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.5 -0.773 . . . . 50.0 112.172 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -63.83 -37.96 89.34 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.019 -0.672 . . . . 50.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.48 -50.89 69.62 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.492 -0.558 . . . . 50.0 109.492 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.9 -37.66 79.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.05 -34.84 75.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.708 -0.479 . . . . 50.0 109.708 178.136 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.94 -38.93 92.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.637 -0.505 . . . . 50.0 109.637 176.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.18 -29.76 68.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.843 0.354 . . . . 50.0 111.115 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 m -83.06 -41.21 18.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.3 0.852 . . . . 25.0 113.3 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -117.51 -0.88 11.8 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.739 1.755 . . . . 50.0 115.739 -171.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.41 175.82 43.72 Favored Glycine 0 C--O 1.249 1.085 0 N-CA-C 116.362 1.305 . . . . 50.0 116.362 176.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.01 -15.82 44.02 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.731 2.287 . . . . 50.0 115.401 -178.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.51 -26.94 61.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.068 -0.395 . . . . 50.0 111.163 178.087 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -95.38 -48.42 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.823 -0.351 . . . . 50.0 110.426 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.6 t -108.0 130.93 22.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 105.877 -1.897 . . . . 50.0 105.877 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.74 156.0 10.3 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 115.962 -2.225 . . . . 50.0 112.117 177.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.04 -21.51 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.688 -0.632 . . . . 50.0 110.841 176.217 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 t -74.35 -17.6 60.81 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.696 -0.627 . . . . 25.0 111.287 177.545 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.13 79.69 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.54 -32.05 69.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.228 0.537 . . . . 50.0 110.909 178.01 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -45.73 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.941 -0.763 . . . . 50.0 108.941 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -62.42 -43.97 97.55 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.768 -0.651 . . . . 50.0 109.512 176.219 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -57.19 -39.45 75.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.716 0.293 . . . . 50.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.91 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 50.0 110.774 -178.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -45.21 95.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.12 -0.326 . . . . 50.0 110.12 178.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.72 -32.3 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -58.42 -44.19 88.98 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.537 -0.727 . . . . 50.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.19 -27.34 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.089 -0.644 . . . . 50.0 110.576 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.55 -40.4 94.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.258 -0.275 . . . . 50.0 110.258 172.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.38 -40.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 121.261 -0.176 . . . . 50.0 110.915 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.27 -35.84 72.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 179.324 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.01 33.58 4.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -67.28 -21.11 65.71 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.34 -0.985 . . . . 50.0 108.34 171.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.576 0.954 . . . . 50.0 113.576 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -128.5 4.0 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.978 0.894 . . . . 50.0 111.271 -175.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.24 85.62 58.01 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.627 -0.715 . . . . 50.0 109.47 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.9 -18.16 57.02 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 116.948 -1.568 . . . . 50.0 113.773 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.06 -43.91 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.99 -29.69 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 CA-C-N 115.695 -0.684 . . . . 50.0 110.581 -178.163 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -62.43 -39.01 91.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.619 -0.511 . . . . 50.0 109.619 179.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.86 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.055 -0.403 . . . . 25.0 110.577 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.63 56.19 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 178.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.87 -50.35 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 178.144 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.63 93.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.34 -36.38 80.01 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.798 -0.361 . . . . 50.0 111.496 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 m -63.74 -44.02 94.73 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -179.523 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -62.03 -42.03 98.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.65 0.262 . . . . 50.0 110.769 179.504 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.67 -50.16 70.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.421 0.629 . . . . 50.0 111.255 178.9 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.61 -39.02 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 109.388 -0.597 . . . . 50.0 109.388 -176.433 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.21 -41.89 97.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.593 0.633 . . . . 50.0 111.972 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.7 mmtp -74.14 -33.04 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.798 -0.564 . . . . 50.0 112.095 178.03 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 -33.8 76.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.879 . . . . 50.0 109.342 174.258 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -69.29 -40.86 77.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.368 0.604 . . . . 50.0 109.902 178.662 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 m -84.64 27.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.117 1.154 . . . . 50.0 114.117 -175.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.56 -16.26 64.09 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.042 0.449 . . . . 50.0 110.083 174.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.6 p -125.13 127.52 46.99 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 107.76 -1.2 . . . . 25.0 107.76 177.537 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -85.27 -4.4 59.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.16 0.981 . . . . 50.0 112.63 -177.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.1 mt -65.65 135.46 55.05 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.614 -1.176 . . . . 50.0 113.067 -170.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -34.36 77.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.877 -1.527 . . . . 50.0 106.877 173.4 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 110.63 4.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 175.613 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.08 103.91 0.26 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 -172.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -70.34 -31.68 69.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -171.495 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -71.26 -47.25 58.14 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -175.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -158.83 155.35 27.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 -173.3 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 57.5 t60 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.304 -1.808 . . . . 25.0 106.75 170.893 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.468 ' H ' ' HA ' ' A' ' 36' ' ' ASP . . . . . . . . 0 C--O 1.225 -0.447 0 N-CA-C 115.391 0.916 . . . . 50.0 115.391 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -58.35 -42.04 86.02 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.048 0.924 . . . . 50.0 110.245 178.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.24 -34.56 63.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 50.0 109.825 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.61 -39.6 94.77 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.619 -0.676 . . . . 50.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -12.53 61.45 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.565 0.95 . . . . 50.0 113.565 174.254 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -99.94 -17.87 17.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.096 0.95 . . . . 50.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -84.23 80.29 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.866 -176.185 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -48.21 -30.28 4.54 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.657 2.095 . . . . 50.0 116.657 -174.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.85 -40.41 72.82 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.504 0.669 . . . . 50.0 111.491 174.104 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.95 -38.93 16.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.412 -0.813 . . . . 50.0 110.033 -178.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.2 -42.91 88.37 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-O 119.279 -0.391 . . . . 50.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.76 -42.65 84.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.934 0.788 . . . . 50.0 112.088 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -40.82 88.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 179.207 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.08 -23.4 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -59.88 -28.02 67.19 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.604 -0.888 . . . . 50.0 108.604 177.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -83.93 -50.39 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.784 -0.367 . . . . 50.0 111.59 170.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.1 81.23 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -175.03 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -38.35 77.44 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.121 0.486 . . . . 50.0 109.725 179.527 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.53 -34.44 65.23 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 112.702 0.63 . . . . 50.0 112.702 -179.111 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -66.63 -22.01 66.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -176.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -77.19 -19.76 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.72 -0.612 . . . . 50.0 109.564 176.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.33 78.96 Favored Glycine 0 C--O 1.238 0.374 0 CA-C-O 121.389 0.439 . . . . 50.0 113.402 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 t -93.48 122.18 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 -175.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.37 84.34 7.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.788 -0.642 . . . . 50.0 110.288 -174.145 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -105.45 140.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.644 -1.243 . . . . 50.0 107.644 179.38 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -68.29 133.42 48.75 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.008 -1.849 . . . . 50.0 106.008 175.283 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -50.29 57.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.331 1.234 . . . . 50.0 114.331 -177.879 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.33 70.71 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.7 -178.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -81.3 -28.42 34.62 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 116.723 -0.217 . . . . 50.0 111.249 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.88 -53.99 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.219 -0.992 . . . . 50.0 108.698 175.336 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.26 -19.95 65.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.02 0.748 . . . . 50.0 113.02 179.257 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.33 -39.95 67.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.329 0.585 . . . . 50.0 110.1 172.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -82.16 -23.79 35.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.845 -178.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.11 -22.74 64.88 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.969 -0.752 . . . . 50.0 108.969 171.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HA ' ' H ' ' A' ' 2' ' ' GLY . 7.3 t70 -78.02 -37.65 46.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.649 0.738 . . . . 50.0 109.748 178.391 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -65.93 -33.55 76.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.586 0.958 . . . . 50.0 113.586 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 119.787 -0.765 . . . . 50.0 110.123 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -37.17 84.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.853 -0.529 . . . . 50.0 110.152 179.419 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.9 -49.0 77.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -77.84 -28.91 50.27 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -118.5 84.73 24.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 121.906 -0.496 . . . . 50.0 111.909 -176.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.27 -16.99 39.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-O 121.324 0.468 . . . . 50.0 113.003 -179.39 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -13.06 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 177.221 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.59 -48.74 64.4 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.477 -0.765 . . . . 50.0 112.729 -178.465 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.51 -20.29 31.48 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 113.951 -3.566 . . . . 50.0 114.031 175.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -68.04 -39.7 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 176.901 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.95 -41.6 95.35 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.59 -1.263 . . . . 50.0 107.59 175.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.45 31.96 71.66 Favored Glycine 0 C--O 1.219 -0.798 0 CA-C-N 115.821 -0.627 . . . . 50.0 112.697 176.08 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -129.24 132.41 47.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.282 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.73 99.37 8.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 123.871 1.795 . . . . 50.0 107.92 177.507 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.51 157.42 43.26 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.31 -2.223 . . . . 50.0 105.819 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.76 -28.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 113.4 0.889 . . . . 50.0 113.4 -172.061 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 34.7 mmtp -68.21 -35.37 77.86 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 178.459 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -64.68 -42.33 95.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.194 -1.41 . . . . 50.0 107.194 177.222 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -67.16 -29.77 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.619 0.97 . . . . 50.0 113.619 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 26.2 mmt180 -58.72 -42.02 87.73 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.289 -0.634 . . . . 50.0 109.289 177.531 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -61.94 -30.88 71.21 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.826 -0.624 . . . . 50.0 112.211 -178.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -68.51 -40.1 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.32 0.581 . . . . 50.0 110.109 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.06 78.22 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.587 -1.005 . . . . 50.0 110.587 -179.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.62 -37.98 85.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.75 0.786 . . . . 25.0 109.511 177.399 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -43.29 96.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 50.0 111.043 176.751 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -64.62 -34.08 77.44 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.916 -0.49 . . . . 50.0 110.205 178.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -64.45 -44.48 90.96 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.034 -0.358 . . . . 50.0 110.034 -178.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.81 -43.92 71.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.694 0.759 . . . . 50.0 111.004 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -63.66 -30.17 71.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -69.92 -46.02 66.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 174.849 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.93 -23.25 65.95 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.378 0.51 . . . . 50.0 112.378 -177.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 m -58.12 -44.02 87.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 -22.67 3.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.943 2.201 . . . . 50.0 116.943 -177.406 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.73 -170.33 16.0 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 111.022 -0.831 . . . . 50.0 111.022 -170.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.46 -7.42 20.91 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 116.713 1.774 . . . . 50.0 116.713 -174.163 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.56 -25.85 59.56 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 121.631 -0.668 . . . . 50.0 110.945 176.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.44 -48.62 9.44 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 120.789 -0.364 . . . . 50.0 110.044 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -124.36 130.77 24.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.94 153.51 29.13 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 115.492 -2.538 . . . . 50.0 111.791 177.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.06 -20.9 28.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.74 -0.6 . . . . 50.0 110.844 176.555 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -72.2 -18.08 61.88 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.657 -0.652 . . . . 25.0 111.067 177.405 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.07 79.43 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 120.206 -0.598 . . . . 25.0 109.974 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.81 -30.76 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.125 0.488 . . . . 50.0 111.115 178.417 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -70.57 -44.5 67.24 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 177.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.16 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.001 176.327 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -57.79 -39.07 76.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.323 . . . . 50.0 111.041 179.196 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.16 -25.79 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.75 -40.26 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.395 0.617 . . . . 50.0 109.529 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.62 -29.33 18.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -58.18 -52.67 64.59 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.289 -0.414 . . . . 50.0 109.947 178.042 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.44 -28.97 67.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.519 -0.472 . . . . 50.0 111.33 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -49.91 75.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.294 -0.254 . . . . 50.0 111.212 175.004 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.9 mt -76.42 -38.04 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 120.814 -0.355 . . . . 50.0 110.197 -177.278 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.09 -28.15 66.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.152 -0.314 . . . . 50.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.88 29.14 7.7 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.335 0.865 . . . . 50.0 113.335 179.081 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -64.45 -21.8 66.77 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.164 0.507 . . . . 50.0 111.0 177.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.3 -41.31 96.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.67 7.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.446 0.641 . . . . 50.0 110.893 -176.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -126.58 84.35 62.74 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 178.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -66.99 -22.79 47.59 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 117.263 -1.358 . . . . 50.0 113.787 -177.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -69.23 -25.28 64.23 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 176.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.1 t -83.64 -44.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 176.151 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.5 ttp -62.34 -28.22 69.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.1 0.407 . . . . 50.0 112.1 -176.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.6 80.76 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.65 -0.656 . . . . 25.0 110.993 174.002 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 -33.79 58.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.659 -0.496 . . . . 25.0 109.659 178.43 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.89 -51.93 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 179.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.2 92.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 25.0 111.422 -178.554 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.02 -37.32 86.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.111 -0.368 . . . . 50.0 111.963 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.1 m -69.17 -36.03 76.93 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.791 -0.568 . . . . 25.0 110.194 -177.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.79 -38.39 81.74 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 122.085 -0.384 . . . . 50.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.51 -49.61 76.88 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.484 1.135 . . . . 50.0 109.11 176.17 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.9 -39.85 84.44 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 CA-C-N 114.145 -1.389 . . . . 50.0 110.848 -173.205 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.74 -38.26 81.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.938 0.718 . . . . 50.0 112.938 -177.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.98 -30.75 70.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.587 -0.445 . . . . 50.0 111.735 179.902 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.8 t -83.43 -39.25 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 50.0 110.764 177.67 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -63.55 -28.1 69.71 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.615 0.766 . . . . 50.0 111.07 -177.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.3 m 54.44 -174.32 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 122.618 1.199 . . . . 50.0 113.656 176.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -68.71 -48.37 64.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.445 -0.798 . . . . 50.0 108.883 176.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.28 79.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -176.297 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -133.76 44.85 2.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 123.126 1.441 . . . . 50.0 107.244 170.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 120' ' ' HIS . 1.7 mp -72.35 158.52 35.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.419 -1.264 . . . . 50.0 111.552 -175.378 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.79 23.42 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.238 -0.892 . . . . 50.0 113.043 173.063 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.504 ' H ' ' C ' ' A' ' 118' ' ' LEU . 7.6 m80 65.64 5.6 3.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.986 1.314 . . . . 25.0 113.7 179.402 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.09 142.67 55.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 106.599 -1.63 . . . . 25.0 106.599 175.046 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -154.03 147.32 24.83 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 176.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -150.4 169.5 21.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -175.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.5 t60 60.72 -170.54 0.15 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.942 0.897 . . . . 25.0 109.794 178.148 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 p80 . . . . . 0 C--O 1.242 0.689 0 N-CA-C 103.924 -2.621 . . . . 25.0 103.924 177.318 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.426 0 N-CA-C 114.203 0.441 . . . . 25.0 114.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.5 -20.92 64.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.616 0.722 . . . . 25.0 109.184 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.79 -52.17 52.99 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.026 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.54 -37.71 87.5 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -13.37 4.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.607 1.336 . . . . 25.0 114.607 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -97.78 -11.44 23.36 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.956 -0.465 . . . . 25.0 112.035 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 92.83 8.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -43.8 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.899 2.185 . . . . 25.0 116.899 -174.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -34.54 78.0 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.39 -0.818 . . . . 25.0 111.634 -176.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -75.44 -36.68 60.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.599 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.03 -38.23 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.022 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.93 -43.03 99.68 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.649 -0.657 . . . . 25.0 111.085 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.04 -37.57 75.62 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.747 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.69 -24.48 65.41 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.667 -0.646 . . . . 25.0 112.487 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -64.34 -34.57 78.45 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.05 -48.86 50.36 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.97 99.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -41.38 97.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.82 -38.98 61.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -64.4 -23.13 67.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -10.05 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.103 -0.373 . . . . 25.0 111.264 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.26 7.36 67.46 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.387 -0.435 . . . . 25.0 114.177 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.1 124.77 39.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.44 84.25 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.853 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -137.36 156.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.55 . . . . 25.0 109.941 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -89.09 162.61 15.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.26 -39.87 80.33 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.867 -0.521 . . . . 25.0 110.377 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.67 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.774 0.321 . . . . 25.0 110.331 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -73.39 -38.52 65.61 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.951 -0.568 . . . . 25.0 109.651 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -73.46 -53.63 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.298 0.57 . . . . 25.0 111.352 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.68 -19.98 65.34 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.134 -0.484 . . . . 25.0 112.079 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -52.31 -36.44 53.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.541 0.686 . . . . 25.0 110.825 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.41 -23.78 32.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.684 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -69.51 -30.18 67.97 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -69.47 -38.62 77.79 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.43 -38.94 92.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.531 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -65.93 -36.53 77.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 C-N-CA 119.805 -0.758 . . . . 25.0 109.875 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -66.08 -39.77 90.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.437 1.017 . . . . 25.0 110.972 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -74.55 -26.01 59.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -96.99 -31.87 12.3 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.291 0.567 . . . . 25.0 112.144 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 80.2 m -123.52 78.18 54.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 C-N-CA 123.113 0.565 . . . . 25.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.47 -14.16 30.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 CA-C-O 121.6 0.584 . . . . 25.0 112.189 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -16.21 44.5 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.239 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.24 -49.12 74.65 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.5 -0.75 . . . . 25.0 111.887 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.49 -18.46 43.46 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 113.314 -3.991 . . . . 25.0 113.634 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -70.15 -33.37 71.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 25.0 110.749 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.2 -27.14 63.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.07 26.24 41.5 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-N 115.978 -0.555 . . . . 25.0 114.108 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 55' ' ' ARG . 90.6 m -128.62 128.43 44.16 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -174.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -121.11 98.62 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 123.531 1.634 . . . . 25.0 109.657 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.19 163.87 31.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.444 -2.428 . . . . 25.0 104.444 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.53 -28.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.96 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.17 -31.09 72.15 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.79 -0.569 . . . . 25.0 110.595 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 50' ' ' THR . 31.1 mmt180 -83.99 -43.97 14.64 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.287 0.565 . . . . 25.0 109.769 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -64.63 -28.47 69.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.13 -41.75 97.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.84 -0.537 . . . . 25.0 110.569 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -58.39 -27.93 64.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.26 -39.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 25.0 109.396 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.97 -34.07 53.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.302 -0.952 . . . . 25.0 110.845 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.65 -39.29 90.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.38 -46.8 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.97 -37.21 78.94 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.425 -0.51 . . . . 25.0 110.192 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -67.66 -42.58 81.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 25.0 110.76 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.37 -49.98 74.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.879 0.847 . . . . 25.0 109.902 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -34.16 76.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.917 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -68.18 -40.65 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.631 -0.259 . . . . 25.0 111.037 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.307 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 m -77.2 -39.52 48.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.47 2.62 11.82 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -174.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.45 171.26 41.15 Favored Glycine 0 C--O 1.248 0.993 0 N-CA-C 117.464 1.746 . . . . 25.0 117.464 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.47 -17.64 38.8 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.775 2.317 . . . . 25.0 115.289 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -76.71 -18.75 58.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.977 -0.452 . . . . 25.0 110.226 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -99.08 -46.5 5.56 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.53 130.93 23.27 Favored Pre-proline 0 C--O 1.221 -0.433 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.29 153.17 12.34 Favored 'Trans proline' 0 CA--C 1.518 -0.298 0 C-N-CA 115.286 -2.676 . . . . 25.0 112.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.27 -21.4 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.897 -0.502 . . . . 25.0 110.85 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -73.57 -17.68 61.16 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.637 -0.665 . . . . 25.0 111.248 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.73 84.4 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -72.05 -31.44 66.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.196 0.522 . . . . 25.0 111.036 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -70.64 -45.99 64.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.27 -43.16 98.73 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.714 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.97 -37.48 76.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.712 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -65.13 -34.4 78.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 25.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.44 -42.09 98.66 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.002 0.43 . . . . 25.0 110.471 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.71 -31.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.782 -0.767 . . . . 25.0 109.134 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.95 -45.19 91.08 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.565 -0.709 . . . . 25.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.61 -31.62 68.65 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.152 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.94 -41.75 95.24 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 111.653 0.242 . . . . 25.0 111.653 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.0 mt -79.39 -40.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.284 -0.566 . . . . 25.0 110.419 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.2 -34.49 73.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 32.96 5.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 25.0 111.767 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -66.34 -21.82 66.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.292 0.567 . . . . 25.0 109.697 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -62.83 -22.18 66.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.93 9.67 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.423 0.63 . . . . 25.0 110.234 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.56 81.95 67.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -66.24 -19.33 56.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.764 -1.024 . . . . 25.0 113.857 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -62.55 -46.51 88.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.9 -29.41 6.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.428 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.336 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -58.65 -41.24 85.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.841 0.746 . . . . 25.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.9 74.66 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.176 -0.61 . . . . 25.0 110.25 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.77 62.99 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.12 -46.03 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.26 88.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.683 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -38.52 83.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.503 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -68.7 -39.71 80.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.565 -0.709 . . . . 25.0 109.536 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.46 -41.06 98.49 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.796 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.89 -45.89 92.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 25.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.39 -38.89 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.92 -40.48 93.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.794 -0.566 . . . . 25.0 111.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mttt . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.705 -178.571 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.405 0 N-CA-C 114.009 0.363 . . . . 25.0 114.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.01 -35.14 79.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.905 0.352 . . . . 25.0 111.836 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -78.37 -33.41 48.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.414 0.626 . . . . 25.0 111.541 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.83 -39.85 95.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.292 -0.413 . . . . 25.0 111.238 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -12.59 32.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.36 -10.63 22.04 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.204 0.526 . . . . 25.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -90.52 89.23 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.07 -38.16 56.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -62.88 -31.11 72.09 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.339 -0.851 . . . . 25.0 112.486 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -78.79 -38.26 38.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.76 -37.83 61.87 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.462 -0.569 . . . . 25.0 109.462 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.55 -45.78 92.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.34 -41.28 73.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 25.0 110.169 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.26 -24.72 65.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.01 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -56.44 -44.22 80.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -75.5 -41.34 55.59 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.966 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.13 99.47 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.784 -0.573 . . . . 25.0 112.148 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.97 -42.43 94.1 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -74.99 -39.5 61.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -67.05 -26.46 66.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 117.785 0.266 . . . . 25.0 111.583 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.993 -0.283 . . . . 25.0 110.547 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 3.18 81.27 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-O 121.319 0.4 . . . . 25.0 113.21 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.48 125.84 41.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.384 -1.709 . . . . 25.0 106.384 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -83.23 84.4 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.0 0.429 . . . . 25.0 110.082 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.62 158.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -102.81 170.21 8.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 25.0 109.62 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.44 -37.6 78.54 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 110.188 -0.301 . . . . 25.0 110.188 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.57 84.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.41 . . . . 25.0 110.414 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -74.11 -43.2 58.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.872 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.99 -54.93 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.15 -20.01 65.0 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.49 -42.6 78.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.011 0.434 . . . . 25.0 110.238 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -77.07 -23.8 51.94 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.222 -0.299 . . . . 25.0 111.533 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.94 -21.87 63.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.92 -21.22 29.74 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.394 -0.816 . . . . 25.0 110.48 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -73.2 -38.34 66.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.31 -0.244 . . . . 25.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -35.11 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.135 -0.353 . . . . 25.0 110.533 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -48.08 28.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 -177.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -71.31 -33.38 69.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.404 0.621 . . . . 25.0 111.703 -176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 65.1 m -121.9 78.76 40.89 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.749 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.42 -17.13 39.28 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.427 0.511 . . . . 25.0 112.603 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -19.56 46.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.516 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -64.74 -51.56 57.14 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.611 -0.681 . . . . 25.0 111.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.92 -17.49 32.25 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 113.803 -3.664 . . . . 25.0 113.745 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.76 -39.38 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.494 0.187 . . . . 25.0 110.923 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 -28.11 62.26 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.6 17.34 48.31 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.7 m -114.18 136.01 53.41 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.6 mt -128.27 103.99 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.795 1.283 . . . . 25.0 110.849 -172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -147.9 162.25 39.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 104.167 -2.531 . . . . 25.0 104.167 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.53 -29.58 47.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.779 0.323 . . . . 25.0 110.643 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -62.13 -36.54 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 25.0 110.461 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -85.51 -38.51 18.47 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.366 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -62.44 -29.1 70.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -59.3 -41.82 89.89 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 122.175 -0.328 . . . . 25.0 111.799 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -59.8 -25.33 64.86 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.67 -40.29 79.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.526 0.679 . . . . 25.0 109.582 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.99 -36.66 64.62 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.062 -1.215 . . . . 25.0 110.062 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.12 -41.72 98.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -42.06 99.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 25.0 112.011 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.76 -38.31 90.55 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.22 -42.57 88.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.679 -0.237 . . . . 25.0 110.636 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.96 -46.5 89.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.362 0.601 . . . . 25.0 110.116 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.4 -39.23 91.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.323 0.583 . . . . 25.0 110.268 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -66.0 -38.08 87.56 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 112.221 0.452 . . . . 25.0 112.221 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -30.8 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.62 -0.832 . . . . 25.0 109.807 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.6 m -69.93 -43.09 72.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.497 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.78 6.39 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 117.549 2.426 . . . . 25.0 117.549 -170.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.48 -178.61 47.45 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 174.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.44 -12.64 27.39 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.396 2.064 . . . . 25.0 114.386 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -72.71 -30.14 63.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.225 0.536 . . . . 25.0 109.902 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -97.99 -37.84 9.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.46 130.99 24.55 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.8 Cg_endo -80.21 147.92 18.71 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 114.783 -3.011 . . . . 25.0 113.583 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.17 -21.39 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 121.835 -0.541 . . . . 25.0 111.443 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HB2' ' A' ' 76' ' ' PRO . 7.2 t -70.36 -21.06 62.93 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.592 -0.693 . . . . 25.0 111.222 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.42 82.81 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.318 -0.553 . . . . 25.0 110.48 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -72.94 -30.68 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.312 0.577 . . . . 25.0 110.873 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 t -70.23 -45.3 66.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.2 -44.6 94.89 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.497 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -56.91 -40.63 76.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.057 0.456 . . . . 25.0 111.645 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -66.22 -33.38 75.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.799 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -63.89 -47.29 81.22 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.76 -31.32 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.219 -0.926 . . . . 25.0 109.266 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.57 -42.65 88.49 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.815 -0.553 . . . . 25.0 110.606 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -27.85 60.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.878 0.763 . . . . 25.0 110.651 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.35 -45.93 85.68 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.56 -41.3 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.106 0.479 . . . . 25.0 111.108 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -115.6 29.61 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.154 0.428 . . . . 25.0 112.154 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -62.27 -25.36 67.8 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.201 0.524 . . . . 25.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -49.05 77.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.196 0.998 . . . . 25.0 113.225 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.06 6.73 6.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.413 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.93 85.79 50.51 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -66.9 -23.71 47.06 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 117.66 -1.094 . . . . 25.0 114.493 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -66.92 -28.2 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.8 -49.06 16.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 CA-C-N 115.983 -0.553 . . . . 25.0 109.968 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -39.74 75.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.97 79.44 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 120.452 -0.499 . . . . 25.0 110.404 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.1 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.679 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.18 -49.55 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.39 94.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.815 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.77 -39.77 90.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.749 0.309 . . . . 25.0 111.415 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -68.85 -38.9 80.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.052 -0.659 . . . . 25.0 109.235 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.45 -42.05 95.35 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.342 -0.543 . . . . 25.0 111.119 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -59.04 -47.31 85.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.375 0.607 . . . . 25.0 110.353 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -38.49 82.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.568 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.11 -39.78 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.224 -0.298 . . . . 25.0 111.501 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.979 0.419 . . . . 25.0 110.176 178.248 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 N-CA-C 111.706 -0.558 . . . . 25.0 111.706 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.998 0.399 . . . . 25.0 110.991 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.44 -24.14 53.93 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.231 -0.587 . . . . 25.0 110.826 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.47 -0.769 . . . . 25.0 111.065 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -10.31 47.05 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -107.15 -15.82 14.57 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.507 0.67 . . . . 25.0 109.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -82.13 86.18 6.66 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 105.673 -1.973 . . . . 25.0 105.673 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.73 -35.02 55.18 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 114.969 1.47 . . . . 25.0 114.969 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.29 -37.48 83.37 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.531 0.605 . . . . 25.0 112.017 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -75.64 -36.48 60.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.587 -0.696 . . . . 25.0 109.269 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.8 t -59.04 -40.53 80.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.9 -45.58 89.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.263 0.483 . . . . 25.0 112.066 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.26 -39.78 95.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.362 -0.535 . . . . 25.0 109.579 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.01 -23.55 64.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -58.15 -40.56 81.71 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.87 -39.25 20.12 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.617 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.99 83.79 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.41 -40.8 96.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.826 -1.175 . . . . 25.0 107.826 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.51 -45.05 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 25.0 113.013 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 p -69.22 -20.12 63.96 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.328 -0.232 . . . . 25.0 111.363 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -23.44 61.28 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 10.03 79.46 Favored Glycine 0 CA--C 1.516 0.105 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.363 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.48 122.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.13 84.62 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.38 141.62 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -75.26 145.08 42.18 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -52.08 64.67 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 25.0 111.297 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -84.68 -34.71 22.93 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 122.202 -0.311 . . . . 25.0 111.085 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.01 -51.8 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.449 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.01 -19.82 47.22 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -53.57 -45.16 69.81 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.478 0.656 . . . . 25.0 109.616 171.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -75.53 -23.94 56.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.434 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.43 -23.85 62.8 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.99 -27.34 26.53 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.595 -0.691 . . . . 25.0 110.438 174.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -67.47 -33.85 75.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -30.64 49.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.607 -0.683 . . . . 25.0 109.912 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -60.12 -38.2 82.29 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.154 -0.341 . . . . 25.0 111.598 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -64.01 -51.74 62.81 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.358 0.599 . . . . 25.0 111.321 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -81.88 -26.46 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.41 74.11 80.0 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 112.395 0.516 . . . . 25.0 112.395 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.22 -12.47 30.07 Favored 'Trans proline' 0 C--N 1.345 0.347 0 CA-C-O 121.919 0.716 . . . . 25.0 111.881 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -11.27 53.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.401 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.82 -50.33 64.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 O-C-N 121.728 -0.608 . . . . 25.0 111.723 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.46 -22.61 44.89 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 113.626 -3.783 . . . . 25.0 113.993 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.246 -0.283 . . . . 25.0 111.606 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -65.94 -29.92 70.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 25.0 110.668 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.99 29.11 73.31 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -146.66 139.66 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -125.06 112.3 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.474 1.13 . . . . 25.0 110.178 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.59 161.28 42.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.18 -31.8 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.804 -0.18 . . . . 25.0 111.196 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -67.42 -31.44 71.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.979 -0.45 . . . . 25.0 110.701 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -80.42 -36.66 33.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -62.68 -25.76 68.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -52.8 -47.24 67.74 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.42 -30.23 62.55 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -39.32 81.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.358 0.599 . . . . 25.0 109.816 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.06 -35.7 53.11 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.448 -1.061 . . . . 25.0 110.448 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.95 -39.82 95.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -45.73 88.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.522 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.25 -33.27 74.28 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.615 -0.434 . . . . 25.0 109.996 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.97 -41.82 90.67 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.141 -0.224 . . . . 25.0 110.74 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.53 -33.29 60.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.677 0.751 . . . . 25.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.55 91.71 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -69.44 -38.85 78.01 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.851 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.953 -0.467 . . . . 25.0 110.754 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -71.75 -42.14 67.58 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.34 3.32 9.74 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.961 1.838 . . . . 25.0 115.961 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.43 -176.9 54.05 Favored Glycine 0 C--O 1.242 0.638 0 N-CA-C 115.428 0.931 . . . . 25.0 115.428 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.28 -9.38 24.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.744 2.296 . . . . 25.0 115.306 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -78.7 -32.07 46.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 25.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -88.18 -40.51 13.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.66 -0.245 . . . . 25.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.51 130.95 24.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.33 154.46 18.75 Favored 'Trans proline' 0 CA--C 1.519 -0.245 0 C-N-CA 115.571 -2.486 . . . . 25.0 112.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.08 -20.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.788 -0.57 . . . . 25.0 110.335 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -74.08 -17.28 60.98 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 121.724 -0.61 . . . . 25.0 111.151 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.13 81.66 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -71.28 -31.46 67.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.088 0.471 . . . . 25.0 111.387 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -71.84 -45.57 60.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -63.03 -42.03 99.68 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.563 -0.744 . . . . 25.0 109.542 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.8 -39.95 90.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.834 0.35 . . . . 25.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.37 -28.38 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 25.0 111.604 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.8 -46.01 83.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.5 -30.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.51 -48.04 83.19 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.739 -0.601 . . . . 25.0 110.149 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.41 -22.46 61.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.908 0.776 . . . . 25.0 110.771 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.5 tp -75.75 -42.59 50.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.039 0.535 . . . . 25.0 111.293 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.9 -37.77 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.61 -31.32 66.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.259 0.552 . . . . 25.0 111.622 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -108.29 21.21 17.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.55 -23.0 66.75 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.16 -31.61 72.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -110.4 9.41 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.716 0.769 . . . . 25.0 109.955 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -124.96 80.43 63.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.58 -17.35 56.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 117.075 -1.483 . . . . 25.0 113.308 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.23 -43.11 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.78 -28.47 6.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 C-N-CA 119.883 -0.727 . . . . 25.0 111.364 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -36.95 81.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.427 -0.796 . . . . 25.0 110.53 -177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.68 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.145 0.498 . . . . 25.0 110.757 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.12 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.38 -49.66 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.51 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.465 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -39.45 93.56 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.618 -0.433 . . . . 25.0 111.821 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 m -69.98 -36.27 75.05 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.383 -0.927 . . . . 25.0 108.715 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -59.58 -38.53 81.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.147 0.431 . . . . 25.0 111.594 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.89 -44.2 97.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.918 0.866 . . . . 25.0 109.493 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.31 -31.72 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.65 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.56 -37.5 87.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.651 -0.656 . . . . 25.0 110.293 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 120.743 -0.383 . . . . 25.0 110.508 178.669 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.431 0 N-CA-C 110.358 -1.097 . . . . 25.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -65.95 -35.98 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.51 -44.44 90.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.381 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -64.89 -40.75 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.242 -0.286 . . . . 25.0 111.261 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -61.17 -20.08 62.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -99.68 -14.95 18.7 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.365 0.603 . . . . 25.0 110.794 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -84.74 90.63 7.77 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.82 -35.39 32.05 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 114.798 1.407 . . . . 25.0 114.798 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.85 -30.99 71.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.035 0.834 . . . . 25.0 113.019 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -70.56 -43.21 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.11 -35.47 68.92 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-N 114.93 -1.032 . . . . 25.0 110.025 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -54.69 -49.59 70.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.225 0.92 . . . . 25.0 111.603 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -68.45 -39.73 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.202 0.525 . . . . 25.0 110.449 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -23.82 64.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -62.01 -44.41 96.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -74.97 -35.04 62.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.595 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.12 79.39 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.37 -42.21 99.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.48 -48.44 75.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.57 -20.24 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.155 -0.341 . . . . 25.0 111.795 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -75.92 -22.74 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 16.73 79.03 Favored Glycine 0 N--CA 1.455 -0.083 0 N-CA-C 111.844 -0.502 . . . . 25.0 111.844 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.16 115.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.153 0.978 . . . . 25.0 109.302 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -81.69 84.28 6.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 25.0 108.994 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.12 150.05 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.73 142.45 46.32 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -48.06 79.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.35 71.12 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.801 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -74.35 -41.24 61.38 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -51.37 62.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.364 -0.934 . . . . 25.0 109.829 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.98 -19.99 64.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -63.9 -32.08 73.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.372 -0.83 . . . . 25.0 110.255 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -78.03 -23.82 48.04 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.326 -0.859 . . . . 25.0 111.037 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.01 -21.91 62.23 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 171.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.91 -34.95 22.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.523 0.677 . . . . 25.0 110.874 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.15 -34.05 75.66 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -33.34 56.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 O-C-N 122.192 -0.317 . . . . 25.0 110.695 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -61.01 -34.32 74.64 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.77 -51.15 20.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.952 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -64.58 -38.47 91.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.873 0.844 . . . . 25.0 110.827 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.71 80.95 40.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.077 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -69.75 -14.3 35.91 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 CA-C-O 121.728 0.637 . . . . 25.0 112.216 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.57 -15.39 37.54 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.78 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.89 -47.03 75.31 Favored Pre-proline 0 N--CA 1.471 0.598 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.18 -24.31 44.48 Favored 'Trans proline' 0 C--N 1.355 0.894 1 C-N-CA 112.807 -4.328 . . . . 25.0 113.369 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -15.53 62.34 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.24 -24.57 64.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.61 17.6 20.72 Favored Glycine 0 C--O 1.223 -0.557 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.3 m -139.81 139.0 36.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -111.7 115.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.491 1.139 . . . . 25.0 108.931 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -152.16 156.72 40.37 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 tp -66.3 -29.61 47.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.589 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -66.03 -36.38 83.11 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.672 -0.642 . . . . 25.0 109.38 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -78.37 -37.31 44.49 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.434 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -66.59 -29.49 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 25.0 111.925 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.76 -40.06 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.805 -0.559 . . . . 25.0 110.855 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -54.96 -32.81 61.79 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.06 -39.05 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.301 0.572 . . . . 25.0 109.993 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.9 -37.95 75.05 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -62.18 -40.16 95.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -41.0 94.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.376 -0.829 . . . . 25.0 112.363 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.65 -36.06 82.59 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.69 -43.15 94.45 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.6 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.865 0.84 . . . . 25.0 111.104 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -36.74 84.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.24 -0.891 . . . . 25.0 109.53 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.62 -41.71 71.88 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.869 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.42 -33.78 75.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.897 -0.502 . . . . 25.0 110.775 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.3 m -76.58 -40.74 48.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.35 2.41 10.8 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.918 1.822 . . . . 25.0 115.918 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.7 -176.23 53.86 Favored Glycine 0 C--O 1.244 0.74 0 N-CA-C 114.948 0.739 . . . . 25.0 114.948 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.86 -13.0 31.6 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.388 1.392 . . . . 25.0 113.697 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.277 0.561 . . . . 25.0 110.416 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -101.34 -35.23 9.3 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.013 0.745 . . . . 25.0 113.013 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.15 130.81 23.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -81.39 154.33 18.57 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.648 -2.435 . . . . 25.0 111.539 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.02 -20.46 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.608 -0.682 . . . . 25.0 110.784 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -73.71 -19.34 60.84 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.662 -0.649 . . . . 25.0 111.213 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.89 80.97 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.707 -0.62 . . . . 25.0 109.802 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.55 -30.73 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.559 . . . . 25.0 110.868 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -73.76 -45.16 53.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.12 -45.83 91.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.257 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.84 -40.46 80.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.822 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -63.63 -30.86 71.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.213 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.09 -43.3 82.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.373 0.606 . . . . 25.0 109.411 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.73 -29.99 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.704 -0.623 . . . . 25.0 109.664 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -58.92 -47.01 86.57 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.93 -27.87 62.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.96 -0.696 . . . . 25.0 110.982 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.03 -40.95 97.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.96 -0.462 . . . . 25.0 111.196 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.74 -40.72 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.538 -0.465 . . . . 25.0 109.844 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.75 -31.25 70.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.949 0.404 . . . . 25.0 110.693 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -116.09 31.94 6.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.73 -18.91 65.66 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.538 0.685 . . . . 25.0 109.811 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.79 -31.74 71.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.026 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.6 8.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.547 0.689 . . . . 25.0 110.225 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -125.93 82.83 63.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.83 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.49 -18.69 38.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.623 -1.118 . . . . 25.0 113.81 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -64.37 -44.75 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.86 -25.32 6.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.986 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -35.81 78.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.638 -0.664 . . . . 25.0 110.37 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.54 74.13 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 122.044 -0.41 . . . . 25.0 110.887 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.74 -31.66 52.25 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.058 -0.401 . . . . 25.0 109.994 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -47.3 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.32 83.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 25.0 110.94 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.67 -36.68 83.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 25.0 111.968 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -60.51 -45.0 95.42 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -58.75 -46.33 87.68 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -65.56 -36.73 84.64 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.838 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.9 mt -69.37 -37.71 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.18 -39.03 92.34 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.032 -0.417 . . . . 25.0 111.17 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 mttt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.944 0.402 . . . . 25.0 110.677 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.163 0 N-CA-C 111.99 -0.444 . . . . 25.0 111.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -62.2 -35.55 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.453 0.168 . . . . 25.0 111.453 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -32.8 21.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.106 -0.371 . . . . 25.0 110.239 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.86 -38.45 90.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.762 -0.586 . . . . 25.0 110.654 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -58.53 -18.69 31.45 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.433 1.642 . . . . 25.0 115.433 173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.28 3.1 12.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.478 0.581 . . . . 25.0 110.939 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.2 76.73 9.85 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 104.077 -2.564 . . . . 25.0 104.077 171.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.74 -28.92 6.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -168.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -71.03 -34.07 70.92 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.543 -0.723 . . . . 25.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -73.14 -39.33 65.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.75 -37.07 63.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.25 -47.28 84.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -70.69 -30.29 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.525 -0.735 . . . . 25.0 110.221 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.22 -23.5 62.94 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.089 -0.382 . . . . 25.0 111.556 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.63 -40.49 97.01 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.52 -46.8 68.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.87 97.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.387 0.884 . . . . 25.0 113.387 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.14 -40.09 96.56 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -67.99 -44.69 76.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -69.08 -20.86 64.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.657 0.984 . . . . 25.0 113.657 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.7 tpt85 -75.08 -17.73 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.215 -0.594 . . . . 25.0 109.402 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.49 8.51 86.94 Favored Glycine 0 C--O 1.227 -0.297 0 CA-C-N 116.272 -0.422 . . . . 25.0 113.059 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -111.51 119.65 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -80.71 84.77 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.412 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -101.17 141.34 17.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.8 137.04 55.07 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -47.04 74.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.6 75.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.022 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.41 -36.76 71.45 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.344 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -53.03 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.515 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.82 -20.65 63.87 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -60.81 -35.65 77.04 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.707 -0.621 . . . . 25.0 109.977 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -76.81 -23.9 52.81 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.526 -0.734 . . . . 25.0 111.294 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.54 -20.34 62.04 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.79 -36.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -66.9 -34.31 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -38.17 80.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -39.93 87.12 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.882 -0.511 . . . . 25.0 110.922 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.06 -42.55 99.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.237 0.541 . . . . 25.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 m -79.41 -35.04 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.402 0.62 . . . . 25.0 111.523 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HG ' ' CB ' ' A' ' 62' ' ' CYS . 6.6 m -120.88 85.94 40.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 122.946 0.498 . . . . 25.0 111.097 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -70.28 -15.37 35.11 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 117.813 -0.991 . . . . 25.0 113.015 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.17 -14.16 44.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.377 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.77 -48.36 52.84 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.121 -0.987 . . . . 25.0 112.018 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.71 -22.69 31.97 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 114.245 -3.37 . . . . 25.0 113.343 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.13 -33.94 76.91 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.895 0.478 . . . . 25.0 111.342 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.04 -29.72 70.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 25.0 110.705 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.97 16.96 42.21 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.427 -0.351 . . . . 25.0 113.788 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -128.82 132.06 47.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -173.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.65 110.53 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 CA-C-O 122.857 1.313 . . . . 25.0 107.521 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.23 159.39 44.41 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.049 -1.432 . . . . 25.0 108.882 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.79 -32.37 56.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.789 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 48.1 mtmt -68.67 -36.89 79.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.868 -0.52 . . . . 25.0 109.684 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -73.44 -33.22 64.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -65.72 -29.96 70.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.345 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 23.4 mmt180 -58.44 -43.7 88.86 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -65.69 -24.97 67.12 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.79 -37.02 78.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.037 -1.098 . . . . 25.0 108.037 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -37.25 67.33 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.137 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.31 -43.83 92.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -61.99 -45.72 92.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.311 -0.859 . . . . 25.0 112.245 -179.155 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.56 -38.11 89.89 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.927 -0.709 . . . . 25.0 109.499 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.9 -47.71 76.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.886 0.374 . . . . 25.0 110.332 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.79 -41.02 88.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.92 0.391 . . . . 25.0 110.283 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.14 -38.4 88.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.221 -0.299 . . . . 25.0 110.67 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -69.51 -32.64 71.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 25.0 110.795 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -78.88 -41.02 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.5 1.77 11.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.55 177.2 46.29 Favored Glycine 0 C--O 1.242 0.641 0 N-CA-C 116.248 1.259 . . . . 25.0 116.248 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.73 -11.03 25.69 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.725 2.283 . . . . 25.0 114.46 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.53 -34.08 54.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.936 0.398 . . . . 25.0 110.177 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.99 -41.62 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.276 . . . . 25.0 111.035 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.0 t -114.82 130.85 23.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.73 153.38 15.19 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 115.485 -2.543 . . . . 25.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.33 -20.23 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.301 0.572 . . . . 25.0 110.332 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -73.4 -16.79 61.32 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 121.721 -0.612 . . . . 25.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.98 83.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.65 -32.41 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 25.0 111.158 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -70.09 -45.51 66.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.69 -40.85 97.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.336 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -58.91 -41.54 87.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 25.0 110.749 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -65.22 -28.68 69.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.814 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tt -65.35 -42.2 93.06 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 120.707 0.289 . . . . 25.0 110.264 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.55 -30.1 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 121.539 -0.725 . . . . 25.0 109.137 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -55.77 -50.79 69.47 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.82 -26.89 65.41 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.844 -0.342 . . . . 25.0 111.193 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.29 -36.68 69.02 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.622 -0.228 . . . . 25.0 111.35 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.15 -40.42 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.98 -37.07 73.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.075 0.464 . . . . 25.0 110.266 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -115.54 34.99 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 25.0 112.072 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -65.07 -21.26 66.79 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.037 0.446 . . . . 25.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.26 -34.67 76.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.67 6.85 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.61 0.719 . . . . 25.0 109.944 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -125.87 77.95 70.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.47 -21.62 53.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.229 -1.38 . . . . 25.0 114.26 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.91 -37.6 84.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.099 -0.376 . . . . 25.0 110.376 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.9 -27.83 6.65 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 119.858 -0.737 . . . . 25.0 110.094 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.13 -38.13 85.27 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.33 71.43 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.657 -0.652 . . . . 25.0 110.851 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.41 53.07 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 122.082 -0.386 . . . . 25.0 110.092 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.05 -53.1 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.68 98.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.078 0.466 . . . . 25.0 111.63 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.22 -45.56 91.07 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.89 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.7 m -59.35 -40.82 87.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.052 -0.351 . . . . 25.0 110.052 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.15 -53.35 59.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.23 -29.48 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.25 -42.29 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.63 -37.76 87.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.113 0.482 . . . . 25.0 110.1 179.215 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.486 0 N-CA-C 111.35 -0.7 . . . . 25.0 111.35 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.74 -37.61 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -82.58 -22.45 34.85 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.06 -0.656 . . . . 25.0 110.817 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.42 -35.64 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -19.11 65.72 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.61 -17.08 20.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.48 0.657 . . . . 25.0 110.824 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -82.41 85.39 6.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.3 -30.96 19.79 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 116.76 2.133 . . . . 25.0 116.76 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.49 -28.77 59.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.623 -0.673 . . . . 25.0 111.685 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -75.15 -42.51 55.91 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.34 -36.14 57.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.476 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.03 -49.01 74.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.771 -0.581 . . . . 25.0 112.221 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.72 -37.94 67.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 25.0 110.847 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.37 -24.96 66.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -58.37 -44.13 88.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.94 -38.92 57.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.918 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.73 90.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.34 -42.89 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.096 0.474 . . . . 25.0 110.281 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.37 -45.42 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -70.88 -14.08 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.768 0.318 . . . . 25.0 111.536 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.57 -21.25 61.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 25.0 110.337 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.23 12.47 84.3 Favored Glycine 0 C--O 1.227 -0.294 0 CA-C-N 116.341 -0.39 . . . . 25.0 113.083 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.0 123.02 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -83.11 84.35 7.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 25.0 111.732 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 m -120.25 147.03 24.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -85.45 158.82 20.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -41.26 76.88 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.722 -0.217 . . . . 25.0 111.115 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.76 74.77 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.54 -45.09 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 25.0 109.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.48 -50.52 67.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 25.0 110.463 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -20.01 64.5 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -63.19 -34.7 78.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.656 -0.653 . . . . 25.0 110.074 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.74 -23.25 39.56 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.899 -0.5 . . . . 25.0 111.567 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.69 -18.5 62.16 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.35 -36.17 22.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.661 0.743 . . . . 25.0 109.064 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.32 -34.46 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 C-N-CA 120.094 -0.642 . . . . 25.0 109.903 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -64.24 -38.82 92.39 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.822 -0.548 . . . . 25.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 -51.42 64.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.754 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -78.41 -27.53 46.68 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 m -121.33 80.07 36.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.04 -17.26 40.92 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 118.209 -0.728 . . . . 25.0 112.899 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -13.01 59.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -67.41 -50.47 37.8 Favored Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.197 -0.94 . . . . 25.0 112.43 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.92 -21.31 37.69 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 113.897 -3.602 . . . . 25.0 113.289 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.21 -33.71 76.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.379 0.272 . . . . 25.0 111.188 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.57 -24.63 62.81 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.183 -0.323 . . . . 25.0 110.849 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 22.04 49.8 Favored Glycine 0 C--O 1.224 -0.488 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.479 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 17.1 m -133.13 133.47 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.635 0.718 . . . . 25.0 111.065 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.76 103.5 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-O 123.31 1.529 . . . . 25.0 109.474 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -153.09 162.72 40.98 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.308 -1.769 . . . . 25.0 108.765 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -64.4 -28.03 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.434 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -62.54 -33.5 75.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.689 -0.632 . . . . 25.0 111.17 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 3.6 mpt_? -85.29 -42.59 14.48 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.643 -0.502 . . . . 25.0 109.643 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -63.56 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -59.86 -45.81 91.29 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.965 -0.459 . . . . 25.0 110.394 176.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -61.89 -25.63 67.67 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.05 -41.8 87.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.453 0.644 . . . . 25.0 109.274 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.62 -35.13 55.84 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.311 -0.947 . . . . 25.0 110.936 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.27 -38.11 89.87 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.36 -43.92 96.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 111.615 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -63.17 -38.07 89.73 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -67.6 -41.1 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.175 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.09 -47.06 86.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.414 0.626 . . . . 25.0 109.812 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.89 -35.58 80.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.107 0.479 . . . . 25.0 111.035 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -68.19 -40.73 82.14 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -31.62 70.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.174 -0.954 . . . . 25.0 110.492 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -63.95 -44.27 93.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -127.32 5.04 6.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.365 1.987 . . . . 25.0 116.365 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.9 -166.27 50.16 Favored Glycine 0 C--O 1.242 0.656 0 O-C-N 121.421 -0.799 . . . . 25.0 113.41 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.09 -5.65 17.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.806 1.67 . . . . 25.0 113.951 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -74.32 -16.91 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.982 0.42 . . . . 25.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.31 -41.26 7.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.28 130.91 23.11 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.52 144.63 50.53 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.015 -2.857 . . . . 25.0 111.936 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.99 -21.58 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 121.991 -0.443 . . . . 25.0 111.677 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -74.37 -19.85 60.29 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.602 -0.686 . . . . 25.0 111.351 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.29 78.87 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.729 -0.607 . . . . 25.0 109.874 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -71.14 -29.77 65.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.106 0.479 . . . . 25.0 111.537 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -73.02 -44.76 60.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.33 -44.58 96.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.227 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.62 -40.65 88.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.32 -27.93 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 110.182 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.86 -30.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.221 0.534 . . . . 25.0 109.807 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -52.88 -52.02 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.197 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.95 -28.46 65.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.528 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.04 -40.96 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.963 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.3 -40.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.64 -35.05 73.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -114.54 38.09 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -59.34 -25.61 64.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.215 0.531 . . . . 25.0 110.208 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.49 -29.87 69.34 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.9 m -119.59 11.1 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.56 0.695 . . . . 25.0 110.172 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -122.84 77.77 49.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.36 -19.8 49.29 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 117.053 -1.498 . . . . 25.0 113.361 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.47 -42.65 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.01 -25.06 6.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.62 -38.9 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.994 -0.441 . . . . 25.0 110.511 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.27 72.39 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.478 -0.764 . . . . 25.0 110.981 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.75 -30.73 59.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.513 -0.312 . . . . 25.0 110.334 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.42 -50.01 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.65 88.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.995 0.426 . . . . 25.0 111.269 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.32 -39.63 95.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.357 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -65.89 -42.98 89.57 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -57.02 -44.44 82.87 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.798 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.89 -38.99 93.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.466 0.651 . . . . 25.0 111.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.24 -37.5 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.05 -40.64 96.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.923 -0.486 . . . . 25.0 110.654 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp . . . . . 0 N--CA 1.475 0.78 0 CA-C-N 118.57 0.623 . . . . 25.0 109.845 179.492 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.188 0 N-CA-C 111.281 -0.728 . . . . 25.0 111.281 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -69.37 -32.87 72.19 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.218 -0.577 . . . . 25.0 111.735 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.76 -26.64 25.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.491 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.49 -39.01 93.31 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.8 -0.563 . . . . 25.0 110.009 174.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -59.02 -19.33 42.76 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.64 -13.92 23.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.822 0.283 . . . . 25.0 111.431 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -87.32 93.95 9.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.18 -30.96 62.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -69.25 -37.66 78.05 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.802 -0.561 . . . . 25.0 111.591 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -69.78 -42.78 73.34 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -57.31 -34.99 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.932 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -54.67 -49.91 69.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.746 1.157 . . . . 25.0 112.687 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -71.22 -37.06 72.07 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.363 -0.535 . . . . 25.0 109.904 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.53 -28.72 69.84 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -54.64 -45.29 73.75 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.94 -38.91 20.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.735 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.15 80.49 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -38.3 82.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.337 0.589 . . . . 25.0 109.815 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -73.68 -28.94 62.01 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -63.19 -22.61 66.98 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.349 0.522 . . . . 25.0 112.151 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -16.75 34.27 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.24 -1.3 50.2 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.609 -0.329 . . . . 25.0 113.357 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.2 t -80.27 118.58 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -83.55 84.3 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.575 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.12 154.57 37.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.897 -1.89 . . . . 25.0 105.897 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -87.45 164.18 16.32 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.33 -39.51 83.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.74 67.62 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.528 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -86.03 -45.87 11.04 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.252 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -50.83 28.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.97 -24.82 67.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.214 -0.594 . . . . 25.0 112.072 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.35 -39.26 89.94 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.921 -0.487 . . . . 25.0 110.773 173.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.05 -23.85 43.99 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.721 -0.612 . . . . 25.0 111.933 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -66.3 -34.11 77.26 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -35.87 80.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.204 0.525 . . . . 25.0 109.902 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -28.42 36.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 119.664 -0.814 . . . . 25.0 109.657 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -69.72 -38.15 76.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.07 -49.57 64.66 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.197 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -70.11 -34.03 72.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.393 0.616 . . . . 25.0 112.235 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.18 79.62 72.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.693 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.66 -18.07 42.59 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.482 -0.545 . . . . 25.0 112.961 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -15.31 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.619 0.6 . . . . 25.0 112.619 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.92 -51.16 15.42 Favored Pre-proline 0 CA--C 1.541 0.616 0 O-C-N 121.476 -0.765 . . . . 25.0 112.436 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -69.62 -20.81 35.03 Favored 'Trans proline' 0 C--N 1.356 0.957 1 C-N-CA 113.091 -4.139 . . . . 25.0 112.954 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.42 -38.42 89.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.209 0.204 . . . . 25.0 111.359 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' HE ' ' A' ' 55' ' ' ARG . 20.5 pt-20 -86.58 -26.02 24.68 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.831 -0.543 . . . . 25.0 110.366 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.42 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 55.5 29.75 54.29 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.64 1.416 . . . . 25.0 116.64 172.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -121.11 130.9 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.79 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 123.969 1.842 . . . . 25.0 109.805 -172.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -98.55 151.84 20.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.06 -29.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -67.55 -34.06 76.29 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.235 -0.291 . . . . 25.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 48' ' ' GLU . 21.2 mtt85 -77.76 -35.27 51.88 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -61.65 -28.36 69.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.469 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -57.3 -45.32 84.26 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -63.47 -26.75 68.87 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.61 -38.42 80.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.88 56.85 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.454 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.75 -39.4 91.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.55 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.682 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.8 -37.6 84.99 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.191 -0.604 . . . . 25.0 109.428 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -67.93 -42.54 80.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.643 0.238 . . . . 25.0 111.643 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.13 -48.99 79.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.071 0.938 . . . . 25.0 109.316 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.51 97.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.491 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.85 -44.18 77.77 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.348 0.87 . . . . 25.0 113.348 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.11 70.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.707 -0.621 . . . . 25.0 112.086 -172.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.7 m -66.13 -42.25 89.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -127.27 2.17 6.38 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.437 2.014 . . . . 25.0 116.437 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 -165.63 53.2 Favored Glycine 0 C--O 1.244 0.72 0 C-N-CA 120.585 -0.817 . . . . 25.0 114.853 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.63 -11.49 29.79 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 121.899 1.733 . . . . 25.0 115.473 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -75.89 -22.84 55.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 25.0 111.099 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -99.61 -42.33 6.94 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.81 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -76.11 150.07 33.08 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 114.45 -3.233 . . . . 25.0 112.763 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.35 -20.54 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.274 0.559 . . . . 25.0 110.795 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -74.34 -17.74 60.79 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.704 -0.623 . . . . 25.0 111.18 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.98 78.12 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 120.316 -0.554 . . . . 25.0 109.531 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -70.62 -30.8 67.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.509 . . . . 25.0 111.413 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -73.46 -43.42 60.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.18 -43.81 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.218 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -59.59 -39.11 83.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.556 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.17 -26.15 67.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.889 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.94 -45.88 76.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.42 -30.28 22.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.313 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -53.96 -52.38 60.88 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -71.57 -25.64 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.789 -0.765 . . . . 25.0 111.825 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.1 -42.43 89.3 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.093 -0.379 . . . . 25.0 111.703 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.2 mt -78.37 -40.72 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.96 -35.35 74.77 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.93 0.395 . . . . 25.0 110.367 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -113.98 34.2 4.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -62.42 -23.2 66.73 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.409 0.623 . . . . 25.0 109.715 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.3 -29.38 69.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.0 7.67 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.296 0.57 . . . . 25.0 110.632 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -125.82 77.86 69.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.318 -0.993 . . . . 25.0 108.318 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.7 -22.66 37.11 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.1 -1.467 . . . . 25.0 114.859 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.09 -39.63 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.207 0.527 . . . . 25.0 109.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.89 -25.69 6.89 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.03 -0.532 . . . . 25.0 109.657 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.19 -37.95 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 25.0 110.387 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.249 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.8 -32.07 59.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.73 -49.74 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.6 98.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.371 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -62.79 -36.78 84.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.961 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -67.37 -35.56 79.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.64 -43.4 98.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.982 -0.449 . . . . 25.0 110.444 175.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.9 -44.18 97.33 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.168 0.508 . . . . 25.0 110.973 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.84 -36.42 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.02 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.59 -38.18 83.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.904 -0.497 . . . . 25.0 111.634 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.42 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 26.9 mmtp . . . . . 0 N--CA 1.471 0.587 0 O-C-N 121.748 -0.595 . . . . 25.0 111.861 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.136 0 CA-C-O 120.465 -0.075 . . . . 25.0 112.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.91 -37.49 78.99 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -37.46 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.619 0.724 . . . . 25.0 109.918 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.45 -41.52 76.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.984 -0.448 . . . . 25.0 111.269 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -70.72 -12.12 61.36 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.82 -24.36 19.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -83.83 88.82 7.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.456 0.646 . . . . 25.0 109.816 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.26 -38.37 12.31 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.638 2.088 . . . . 25.0 116.638 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -66.65 -28.26 68.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.497 -0.752 . . . . 25.0 112.577 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -76.23 -38.19 56.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -58.25 -36.05 56.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -55.81 -47.3 77.39 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.8 -39.31 66.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.278 0.561 . . . . 25.0 110.107 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.84 -23.57 65.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -57.42 -44.04 84.29 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -69.26 -45.98 68.4 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.572 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.81 96.51 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -41.29 98.95 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.53 -43.04 70.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 p -66.24 -27.34 67.89 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -71.11 -21.25 62.23 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.584 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.48 80.84 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 121.528 -0.368 . . . . 25.0 112.989 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -97.94 121.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.81 84.38 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.592 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.84 161.71 38.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.08 146.75 24.39 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.996 -1.112 . . . . 25.0 107.996 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.33 -49.51 43.84 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.03 68.21 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.03 -22.99 26.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -52.77 5.95 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.2 0.455 . . . . 25.0 110.631 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.02 -19.97 61.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.13 -39.95 63.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.241 0.543 . . . . 25.0 110.628 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -82.06 -23.92 35.57 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.199 -0.313 . . . . 25.0 111.755 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.42 -20.85 62.06 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -35.56 21.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.795 -0.566 . . . . 25.0 110.242 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.7 -35.74 77.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.96 -31.85 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 122.029 -0.419 . . . . 25.0 110.986 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.81 -35.04 78.61 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.723 -0.611 . . . . 25.0 111.859 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.36 -52.22 29.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 25.0 110.914 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -70.19 -28.34 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.622 0.725 . . . . 25.0 112.408 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -132.16 78.68 68.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.431 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.22 -14.82 31.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-O 121.727 0.636 . . . . 25.0 112.362 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -16.95 48.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.884 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.38 -51.67 59.0 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.004 -0.435 . . . . 25.0 111.883 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -71.58 -23.42 23.23 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 113.707 -3.729 . . . . 25.0 114.1 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -39.65 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.876 0.324 . . . . 25.0 111.876 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' A' ' 55' ' ' ARG . 40.8 mt-10 -77.5 -20.44 54.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.29 27.95 58.44 Favored Glycine 0 C--O 1.227 -0.289 0 N-CA-C 116.397 1.319 . . . . 25.0 116.397 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -126.75 131.82 51.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.71 103.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.573 1.177 . . . . 25.0 110.006 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.91 164.16 33.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.314 -2.106 . . . . 25.0 105.314 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -65.75 -31.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 -171.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -70.85 -25.27 62.75 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.781 -0.574 . . . . 25.0 109.974 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' A' ' 48' ' ' GLU . 58.9 mtt-85 -85.33 -37.93 19.37 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.659 0.266 . . . . 25.0 110.642 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -63.84 -36.34 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -64.31 -34.48 78.23 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.189 -0.604 . . . . 25.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -60.05 -27.76 67.21 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.783 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.59 -36.75 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.15 -36.92 72.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.26 -40.68 97.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.796 -1.186 . . . . 25.0 107.796 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -43.42 95.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.659 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.19 -34.99 78.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.05 -45.14 93.65 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -73.14 -33.53 65.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.351 0.596 . . . . 25.0 111.417 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.07 -39.46 94.13 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.07 -41.06 78.06 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.963 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -59.44 -23.9 63.07 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.185 -0.322 . . . . 25.0 111.534 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.7 m -64.65 -55.96 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.4 12.02 6.95 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.47 2.026 . . . . 25.0 116.47 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.46 -151.05 37.54 Favored Glycine 0 C--O 1.243 0.685 0 C-N-CA 120.609 -0.805 . . . . 25.0 111.775 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.3 -11.57 32.38 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 118.607 1.204 . . . . 25.0 114.33 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.02 -22.03 62.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 25.0 110.516 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -95.22 -38.37 10.6 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.4 t -134.34 130.95 20.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.52 147.69 41.29 Favored 'Trans proline' 0 CA--C 1.517 -0.344 0 C-N-CA 114.136 -3.443 . . . . 25.0 110.755 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.58 -21.39 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.639 -0.663 . . . . 25.0 111.721 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -71.49 -23.58 61.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 121.512 -0.742 . . . . 25.0 111.186 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.72 81.37 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 119.982 -0.687 . . . . 25.0 110.421 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -69.65 -31.64 69.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.406 0.622 . . . . 25.0 110.944 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -72.29 -43.42 64.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -64.43 -39.41 93.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.075 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -61.06 -38.59 86.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 25.0 111.778 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.74 -44.47 77.47 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.13 -29.61 29.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.231 -0.988 . . . . 25.0 108.687 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -58.38 -50.97 71.78 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.57 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -67.86 -30.14 69.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 120.572 -0.451 . . . . 25.0 110.785 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.6 -41.17 76.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.55 -39.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.38 -29.59 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 25.0 111.065 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -117.65 33.28 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.56 -21.76 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.239 0.543 . . . . 25.0 109.617 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.06 -29.01 70.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.34 10.02 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.275 0.56 . . . . 25.0 111.116 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -125.01 86.12 57.05 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.773 -0.455 . . . . 25.0 109.773 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.12 -22.57 40.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 N-CA-C 114.92 1.085 . . . . 25.0 114.92 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -65.33 -47.4 76.63 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.21 -30.86 12.9 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 C-N-CA 119.281 -0.967 . . . . 25.0 110.178 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -57.64 -42.06 82.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.562 0.619 . . . . 25.0 110.791 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.4 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.517 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.59 58.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.99 -49.79 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.59 96.86 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.96 -36.43 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -67.78 -39.73 84.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.08 -39.7 93.34 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.265 -0.272 . . . . 25.0 110.675 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.01 -47.39 74.63 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.005 0.431 . . . . 25.0 111.943 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.34 -34.8 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.2 -32.62 72.38 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 118.094 0.406 . . . . 25.0 111.39 176.425 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.559 0 N-CA-C 110.801 -0.92 . . . . 25.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -67.12 -24.34 65.92 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 122.533 -0.392 . . . . 25.0 111.81 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -85.5 -44.28 12.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.457 0.646 . . . . 25.0 111.606 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.79 -40.66 97.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -59.24 -21.45 59.58 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -91.79 -19.66 22.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.017 0.826 . . . . 25.0 110.337 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.17 91.4 7.69 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.09 -32.14 63.88 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.26 -37.27 69.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.514 0.673 . . . . 25.0 110.932 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -82.6 -43.16 17.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.563 -0.744 . . . . 25.0 110.145 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.35 -43.93 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.21 -38.92 88.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.558 0.617 . . . . 25.0 111.088 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.23 71.93 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -23.44 66.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.0 -30.29 70.85 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.5 -48.36 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.71 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -39.6 90.6 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.949 -0.469 . . . . 25.0 110.716 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -76.5 -38.09 55.78 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.3 p -67.53 -19.8 65.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -73.41 -18.53 61.14 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 120.271 -0.571 . . . . 25.0 110.439 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 -0.49 83.78 Favored Glycine 0 CA--C 1.517 0.188 0 CA-C-O 121.836 0.687 . . . . 25.0 112.405 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.27 132.6 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -82.48 84.48 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 146.73 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.527 0.68 . . . . 25.0 110.17 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -85.68 132.56 34.13 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.874 -1.528 . . . . 25.0 106.874 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -49.1 69.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.42 76.0 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.961 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -75.09 -38.17 61.3 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.14 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -49.41 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.557 -0.857 . . . . 25.0 109.671 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.05 -34.17 69.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.471 -0.786 . . . . 25.0 112.678 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -26.41 68.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.502 -0.749 . . . . 25.0 112.732 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -76.23 -26.57 56.19 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.544 -0.722 . . . . 25.0 109.871 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -72.79 -28.7 62.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.47 -35.7 68.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.04 -30.35 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.842 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -60.93 -50.72 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.229 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -65.72 -40.54 92.3 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.466 -0.894 . . . . 25.0 111.424 -170.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -24.93 64.04 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 m -97.2 -34.07 11.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.361 0.6 . . . . 25.0 112.347 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -121.59 78.32 37.71 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 123.541 0.736 . . . . 25.0 110.072 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -70.66 -18.47 32.75 Favored 'Trans proline' 0 C--O 1.223 -0.257 0 C-N-CA 118.075 -0.816 . . . . 25.0 113.18 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -23.87 48.59 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.32 -51.78 71.12 Favored Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 113.541 0.941 . . . . 25.0 113.541 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -68.88 -22.72 35.92 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 113.019 -4.188 . . . . 25.0 113.307 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -15.63 62.63 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.27 -19.09 58.64 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.53 21.08 40.71 Favored Glycine 0 C--O 1.222 -0.597 0 N-CA-C 115.187 0.835 . . . . 25.0 115.187 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -134.26 132.62 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.562 0.681 . . . . 25.0 110.554 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -110.78 114.59 47.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 122.408 1.099 . . . . 25.0 109.126 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.37 162.57 39.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 -30.04 49.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -70.77 -34.35 71.73 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.86 -0.525 . . . . 25.0 109.69 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.08 -39.86 65.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.15 -27.26 68.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.377 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -52.56 -50.13 63.55 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 120.98 0.419 . . . . 25.0 110.605 176.026 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.93 -28.85 54.2 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 114.556 -1.202 . . . . 25.0 113.419 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -71.12 -42.75 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 25.0 110.624 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -35.63 49.21 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.487 -1.045 . . . . 25.0 110.487 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.0 -39.42 94.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -50.02 73.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.958 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -59.79 -36.51 76.88 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.113 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.73 -48.11 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -74.29 -29.95 61.87 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.289 -178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.53 -38.92 84.94 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.234 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -64.24 -32.5 74.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.995 -0.44 . . . . 25.0 110.597 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -82.87 -42.09 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -118.27 0.31 11.68 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.8 -178.65 48.12 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 116.722 1.449 . . . . 25.0 116.722 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.48 -16.4 34.54 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.09 1.86 . . . . 25.0 113.75 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -70.76 -19.86 62.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 25.0 110.173 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -110.23 -33.33 6.68 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.47 131.03 24.54 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.28 149.56 19.47 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 114.865 -2.957 . . . . 25.0 112.443 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.18 -20.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 25.0 110.783 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -72.5 -18.5 61.66 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.626 -0.671 . . . . 25.0 111.314 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.83 83.89 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.182 -0.607 . . . . 25.0 109.469 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.88 -32.87 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.247 0.546 . . . . 25.0 111.023 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -69.89 -45.64 67.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.22 -43.93 96.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.021 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -55.15 -39.49 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.863 0.363 . . . . 25.0 111.283 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.05 -34.89 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.577 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tt -63.82 -38.6 91.7 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.948 0.404 . . . . 25.0 110.465 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.16 -30.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 121.162 -0.962 . . . . 25.0 108.873 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -58.96 -44.41 91.47 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.569 -0.707 . . . . 25.0 110.21 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.34 -30.37 69.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.843 0.747 . . . . 25.0 110.371 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.508 HD22 HG11 ' A' ' 99' ' ' VAL . 75.0 mt -68.0 -38.6 82.81 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.122 -0.231 . . . . 25.0 111.435 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.63 -41.75 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 25.0 109.696 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.89 -40.49 84.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.203 0.525 . . . . 25.0 109.695 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.88 38.79 2.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -64.22 -18.14 64.23 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.228 0.537 . . . . 25.0 109.603 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.7 -32.16 72.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.98 7.9 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.661 0.743 . . . . 25.0 110.188 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -123.17 79.48 52.18 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.13 -20.4 33.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 117.778 -1.015 . . . . 25.0 114.666 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -69.61 -42.03 74.93 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.508 HG11 HD22 ' A' ' 89' ' ' LEU . 5.8 m -78.1 -25.17 14.1 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 O-C-N 121.06 -1.025 . . . . 25.0 110.21 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -36.7 80.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.76 74.59 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.012 -0.43 . . . . 25.0 110.604 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.2 61.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 122.123 -0.361 . . . . 25.0 110.548 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.57 -48.4 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.61 78.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.025 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.36 -37.75 88.5 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.9 m -64.07 -42.55 96.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -61.03 -42.62 98.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.415 -0.514 . . . . 25.0 112.13 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.11 -45.51 92.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.145 0.498 . . . . 25.0 109.984 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.11 -42.96 88.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.78 -40.88 96.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.286 0.494 . . . . 25.0 111.843 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.5 mttt . . . . . 0 C--N 1.324 -0.515 0 CA-C-O 121.079 0.466 . . . . 25.0 110.074 179.316 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 113.834 0.294 . . . . 25.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -63.63 -40.68 97.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.129 0.465 . . . . 25.0 110.003 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.84 -37.57 82.07 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.21 -38.3 88.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.127 -0.983 . . . . 25.0 111.918 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -73.67 -25.11 60.1 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -78.04 -30.02 49.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.933 0.873 . . . . 25.0 109.922 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.27 85.11 3.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.761 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.74 -37.23 50.24 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -61.44 -28.5 69.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -84.5 -41.87 16.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.23 -37.65 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.32 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 52.6 mm-40 -52.25 -41.64 62.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.331 0.493 . . . . 25.0 112.331 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -41.16 17.33 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -32.06 73.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -173.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 56.7 pttt -66.69 -29.15 69.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 121.393 -0.817 . . . . 25.0 110.385 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.26 -38.81 63.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.34 91.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.94 -0.475 . . . . 25.0 110.891 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -41.36 90.53 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.05 -46.91 69.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -68.26 -18.43 64.54 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -22.91 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.61 5.48 89.9 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.88 107.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.14 84.26 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.155 0.502 . . . . 25.0 111.037 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -126.16 135.44 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -72.03 157.05 38.52 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.926 -0.484 . . . . 25.0 110.399 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.2 -43.87 74.8 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.11 71.58 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 123.273 0.358 . . . . 25.0 111.228 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -77.67 -46.85 20.75 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -51.42 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.032 -0.667 . . . . 25.0 111.727 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.3 -19.9 65.72 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -62.32 -31.26 71.85 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 119.217 -0.993 . . . . 25.0 110.482 175.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -76.4 -23.89 54.04 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.994 -1.066 . . . . 25.0 110.832 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -76.51 -22.36 54.55 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.23 -34.98 36.76 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.524 -0.735 . . . . 25.0 109.052 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.46 -38.17 90.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.998 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.54 -31.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.578 -0.701 . . . . 25.0 111.23 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.9 -42.04 97.23 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.271 -0.893 . . . . 25.0 108.891 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.75 -53.14 19.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.605 -0.725 . . . . 25.0 112.065 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -72.03 -27.54 62.78 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.476 0.655 . . . . 25.0 112.492 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 63.1 m -125.29 78.43 67.35 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 25.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.57 -14.65 37.02 Favored 'Trans proline' 0 C--N 1.346 0.395 0 CA-C-O 122.041 0.767 . . . . 25.0 111.897 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -14.68 57.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.516 175.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.26 -53.21 33.17 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 118.328 0.513 . . . . 25.0 111.092 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.26 -21.23 27.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.47 -3.887 . . . . 25.0 113.55 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.6 -37.86 87.81 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.27 -0.269 . . . . 25.0 111.319 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 56.96 33.87 64.61 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 116.228 -0.442 . . . . 25.0 113.73 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.3 m -123.97 126.23 45.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.802 -1.185 . . . . 25.0 107.802 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.1 mt -122.31 103.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.714 1.245 . . . . 25.0 109.943 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.54 165.58 27.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.66 -30.56 50.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 117.725 0.238 . . . . 25.0 111.462 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -69.13 -31.89 70.88 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.472 -0.768 . . . . 25.0 110.215 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -76.25 -41.35 49.38 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -67.43 -30.1 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -61.6 -41.28 97.23 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 110.448 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -62.1 -25.06 67.5 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.24 -39.93 79.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.02 -36.14 64.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.482 -0.866 . . . . 25.0 110.989 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -60.18 -40.68 90.86 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 25.0 107.968 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -42.84 93.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.216 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -63.68 -37.08 85.99 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.21 -40.55 86.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.618 0.246 . . . . 25.0 110.713 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -63.18 -47.51 82.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.907 0.861 . . . . 25.0 109.493 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.52 -38.83 92.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.389 0.614 . . . . 25.0 110.223 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -65.79 -45.59 81.87 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -29.61 70.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -172.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -60.16 -43.05 96.09 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.23 -5.64 6.04 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.32 -161.99 39.72 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.795 -0.717 . . . . 25.0 112.446 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -70.05 -9.8 26.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.226 1.284 . . . . 25.0 115.383 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -75.46 -5.56 45.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -117.42 -43.25 2.83 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.21 130.88 24.2 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 105.772 -1.936 . . . . 25.0 105.772 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.19 151.56 38.83 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.671 -3.086 . . . . 25.0 111.87 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.7 -20.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 121.876 -0.515 . . . . 25.0 110.703 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.28 -19.38 61.69 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.734 -0.604 . . . . 25.0 111.095 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.8 82.71 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.075 -0.65 . . . . 25.0 109.417 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.2 -31.28 65.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.152 0.501 . . . . 25.0 110.852 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.2 t -71.23 -43.67 66.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -63.2 -44.04 96.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -58.49 -40.38 82.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.877 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -63.78 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.357 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.97 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.02 -30.65 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -57.6 -45.68 85.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.03 -0.419 . . . . 25.0 110.448 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -75.1 -25.65 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.833 -0.747 . . . . 25.0 111.254 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 99' ' ' VAL . 51.5 mt -66.54 -40.34 89.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.05 -0.407 . . . . 25.0 110.497 175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.65 -41.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.0 -27.32 68.23 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.086 0.47 . . . . 25.0 110.966 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -119.37 35.03 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -63.67 -19.64 65.06 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.014 0.435 . . . . 25.0 110.512 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.59 8.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.504 0.668 . . . . 25.0 110.793 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -123.03 79.78 51.16 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.98 -21.45 56.75 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 117.855 -0.963 . . . . 25.0 114.336 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.61 -50.2 68.1 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.62 HG11 HD22 ' A' ' 89' ' ' LEU . 3.6 m -77.11 -27.71 16.32 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.5 tpt -58.23 -42.16 85.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.234 0.47 . . . . 25.0 110.152 174.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.53 77.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.32 . . . . 25.0 110.185 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.48 56.89 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.121 -0.362 . . . . 25.0 110.479 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.15 -50.16 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.27 91.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.311 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -61.63 -39.41 91.2 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.47 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -69.0 -36.67 78.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.509 -0.744 . . . . 25.0 109.667 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.54 -44.03 97.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.929 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.12 -42.04 94.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.142 -0.349 . . . . 25.0 111.715 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.55 -38.99 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.27 -40.76 94.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.092 -0.38 . . . . 25.0 111.353 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.454 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 29.9 mmtp . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.573 0 CA-C-O 119.977 -0.346 . . . . 25.0 113.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.69 -38.61 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.866 0.833 . . . . 25.0 110.84 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.92 -39.96 83.43 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.069 -0.394 . . . . 25.0 110.735 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.03 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.6 -22.09 32.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.334 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -79.39 77.02 5.96 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.18 -31.08 41.02 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.36 -30.22 71.27 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.603 -0.685 . . . . 25.0 111.92 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -84.19 -39.87 18.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.05 -40.09 52.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.679 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -52.79 -52.16 57.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.085 0.469 . . . . 25.0 111.767 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -36.38 78.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.36 -23.42 66.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -57.05 -40.25 76.44 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -73.08 -43.29 62.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.105 -0.952 . . . . 25.0 110.076 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.51 90.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.42 -40.2 96.54 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -71.36 -40.29 70.72 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 p -66.49 -21.78 66.18 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -72.47 -16.23 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.508 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.12 8.36 69.44 Favored Glycine 0 C--O 1.229 -0.191 0 N-CA-C 114.1 0.4 . . . . 25.0 114.1 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.72 137.89 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.48 84.29 7.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 25.0 109.919 -176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.14 157.09 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -104.67 152.85 21.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.81 -41.97 78.74 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.5 74.48 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 111.588 0.218 . . . . 25.0 111.588 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.4 -47.67 17.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.129 0.49 . . . . 25.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.38 -49.99 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.306 0.574 . . . . 25.0 110.174 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.31 -19.9 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.22 -40.0 96.23 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -72.37 -28.63 63.14 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.702 -0.623 . . . . 25.0 111.387 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.04 -21.46 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.389 0.614 . . . . 25.0 109.564 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.83 -29.52 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.385 -0.822 . . . . 25.0 110.66 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.48 -38.09 86.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.002 -0.544 . . . . 25.0 111.481 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -41.74 92.51 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -40.21 95.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.049 -0.407 . . . . 25.0 111.682 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -26.19 66.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.722 0.267 . . . . 25.0 111.722 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -97.23 -29.42 13.58 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.443 0.639 . . . . 25.0 112.247 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.1 m -119.45 82.78 25.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 123.113 0.565 . . . . 25.0 110.876 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.27 -18.6 34.48 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 118.288 -0.674 . . . . 25.0 112.697 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -14.18 54.98 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.916 -0.583 . . . . 25.0 112.46 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.03 -49.17 36.86 Favored Pre-proline 0 CA--C 1.537 0.476 0 O-C-N 121.426 -0.796 . . . . 25.0 112.764 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.81 -22.87 42.32 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 113.46 -3.893 . . . . 25.0 113.049 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.77 -27.94 69.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.527 0.331 . . . . 25.0 111.452 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.76 -23.16 63.33 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.212 -0.305 . . . . 25.0 111.357 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.72 20.49 47.36 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 114.424 0.53 . . . . 25.0 114.424 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -132.96 133.13 42.77 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.545 0.338 . . . . 25.0 110.638 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.443 HG13 ' HB ' ' A' ' 106' ' ' THR . 40.6 mm -115.47 102.69 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 CA-C-O 123.666 1.698 . . . . 25.0 109.279 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -156.48 163.15 39.76 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 112.997 -1.91 . . . . 25.0 108.303 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.12 -26.0 37.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.91 -37.63 77.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -85.55 -43.98 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.05 0.453 . . . . 25.0 111.543 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -62.11 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -59.96 -40.4 88.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.832 -0.542 . . . . 25.0 111.303 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -59.29 -26.63 65.12 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.55 -41.12 85.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.405 0.621 . . . . 25.0 110.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.63 53.34 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.147 -1.181 . . . . 25.0 110.147 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 -43.63 91.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.132 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -64.2 -36.73 85.01 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.43 -44.28 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -61.41 -49.96 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.84 0.828 . . . . 25.0 109.837 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.86 -34.81 78.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.76 -38.45 83.46 Favored 'General case' 0 C--O 1.214 -0.795 0 O-C-N 122.288 -0.257 . . . . 25.0 111.136 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.66 65.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.419 -0.8 . . . . 25.0 110.358 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 m -64.06 -41.19 97.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.33 -2.83 6.25 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 116.967 2.21 . . . . 25.0 116.967 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.79 -175.94 52.05 Favored Glycine 0 C--O 1.243 0.711 0 O-C-N 121.533 -0.729 . . . . 25.0 114.31 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.47 -7.62 21.62 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.104 1.869 . . . . 25.0 115.317 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.18 -19.92 61.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 25.0 110.138 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -101.54 -42.64 6.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 80.5 t -119.05 131.17 24.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.517 ' HB2' HG22 ' A' ' 78' ' ' THR . 91.6 Cg_endo -80.42 150.03 19.35 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 115.738 -2.374 . . . . 25.0 111.833 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.49 -24.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.22 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 76' ' ' PRO . 5.8 t -67.67 -21.51 65.35 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.945 -0.472 . . . . 25.0 111.581 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.2 -27.08 67.72 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.445 -0.785 . . . . 25.0 111.563 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -81.52 -30.67 33.11 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -69.64 -45.3 68.76 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.107 -1.406 . . . . 25.0 109.625 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.55 -43.69 93.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.289 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -55.65 -41.77 74.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.974 0.416 . . . . 25.0 111.717 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.28 -33.31 75.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.479 . . . . 25.0 111.864 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 25.0 110.503 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.88 -30.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -56.1 -43.02 77.67 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.952 -0.467 . . . . 25.0 111.516 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.71 -24.82 38.53 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.203 -0.311 . . . . 25.0 110.949 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.04 -42.43 89.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.39 -43.28 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.769 0.319 . . . . 25.0 110.491 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.19 -38.07 82.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.4 . . . . 25.0 110.483 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -107.51 36.0 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -60.72 -24.69 65.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.258 0.551 . . . . 25.0 110.231 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.45 -32.49 70.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -112.87 10.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.681 0.753 . . . . 25.0 109.304 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -127.7 82.79 67.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.686 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.42 -17.67 43.99 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 117.628 -1.115 . . . . 25.0 113.663 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -50.96 63.75 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -76.84 -25.21 15.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.09 -0.644 . . . . 25.0 111.709 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -34.03 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.8 -0.563 . . . . 25.0 110.125 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.49 74.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.067 -0.396 . . . . 25.0 110.682 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -31.68 50.84 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.289 -0.257 . . . . 25.0 110.402 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.83 -51.68 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.79 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.881 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.79 -41.52 97.92 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.269 -0.572 . . . . 25.0 112.106 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 51' ' ' ILE . 23.5 m -65.96 -42.95 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -55.67 -46.14 77.6 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.156 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.29 -30.6 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.9 -38.44 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.07 -27.75 67.63 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 179.38 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.148 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.72 -27.71 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.448 -0.442 . . . . 25.0 110.871 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -78.18 -38.38 43.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.723 0.773 . . . . 25.0 109.856 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.96 -36.47 84.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -68.16 -13.45 62.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -113.66 -3.3 13.59 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.001 0.429 . . . . 25.0 111.74 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -85.91 92.51 8.68 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 105.831 -1.914 . . . . 25.0 105.831 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -53.91 -34.71 60.34 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -172.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -56.36 -38.94 72.09 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.015 -0.428 . . . . 25.0 111.823 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -77.49 -39.74 45.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.408 0.623 . . . . 25.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.3 -38.02 66.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.599 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.924 -0.711 . . . . 25.0 109.754 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.74 -23.55 63.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -56.32 -40.94 75.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 106.686 -1.598 . . . . 25.0 106.686 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -83.81 -44.84 13.94 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.306 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.3 89.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.36 -39.59 92.51 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.5 -41.32 80.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -69.89 -23.27 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.189 0.45 . . . . 25.0 111.96 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -71.6 -21.71 61.82 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.044 -0.662 . . . . 25.0 109.458 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.66 16.77 78.7 Favored Glycine 0 C--O 1.228 -0.275 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.0 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.18 128.86 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -77.04 84.32 3.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.89 0.376 . . . . 25.0 110.907 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -119.33 135.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -74.7 145.23 43.29 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.82 -43.53 69.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.907 -0.496 . . . . 25.0 112.011 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.39 77.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.84 -40.6 68.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.305 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.97 -54.78 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 25.0 110.686 -176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -19.85 66.08 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -60.15 -35.04 74.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.628 -0.67 . . . . 25.0 109.96 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.89 -25.14 55.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.808 -0.557 . . . . 25.0 111.996 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.95 -32.38 69.24 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -38.82 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.687 0.756 . . . . 25.0 110.967 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.17 -30.26 69.21 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.05 -27.7 38.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 119.946 -0.702 . . . . 25.0 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -66.08 -43.27 87.82 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -169.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.61 -32.87 73.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.172 0.51 . . . . 25.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -77.28 -37.99 51.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.335 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -124.55 79.66 61.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 123.181 0.592 . . . . 25.0 110.42 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.37 -22.72 33.47 Favored 'Trans proline' 0 C--O 1.222 -0.324 0 CA-C-O 121.216 0.423 . . . . 25.0 112.529 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -15.04 60.04 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -64.46 -52.99 49.05 Favored Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.689 -0.632 . . . . 25.0 112.318 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.07 -20.88 24.68 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 113.628 -3.782 . . . . 25.0 114.386 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.38 -34.72 78.98 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.957 0.408 . . . . 25.0 111.005 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.21 -16.56 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 25.0 110.853 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.45 23.5 48.95 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.4 m -134.92 138.0 43.68 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' HB ' ' A' ' 106' ' ' THR . 30.6 mm -116.57 115.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.354 1.073 . . . . 25.0 109.264 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -154.8 168.9 25.34 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.665 -1.152 . . . . 25.0 108.04 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.72 -38.71 80.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.419 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -61.04 -34.44 74.87 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.155 0.434 . . . . 25.0 111.884 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -78.47 -34.97 47.25 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.183 0.447 . . . . 25.0 110.058 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -64.94 -28.66 69.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -61.51 -48.3 81.69 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.54 -29.08 58.28 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 113.954 -1.475 . . . . 25.0 113.074 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.79 -41.36 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.451 0.643 . . . . 25.0 109.577 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -36.44 67.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.645 -0.982 . . . . 25.0 110.645 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -38.24 89.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.04 93.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.606 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.81 -39.41 94.18 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -65.41 -39.19 91.85 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.286 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.86 -50.21 74.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.986 0.898 . . . . 25.0 109.931 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -32.32 73.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.935 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.03 -38.33 69.58 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.113 -0.494 . . . . 25.0 112.201 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -32.04 67.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.267 -0.896 . . . . 25.0 109.417 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.1 m -66.22 -42.99 87.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.448 -0.796 . . . . 25.0 113.041 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.23 3.64 6.38 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.543 2.423 . . . . 25.0 117.543 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.72 -167.31 54.48 Favored Glycine 0 C--O 1.247 0.924 0 O-C-N 121.573 -0.704 . . . . 25.0 114.061 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -70.96 -10.15 27.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 121.091 1.194 . . . . 25.0 113.503 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.63 -25.12 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.448 0.642 . . . . 25.0 110.243 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -107.14 -42.28 4.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.0 t -122.81 131.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.7 Cg_endo -77.48 148.79 26.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 115.712 -2.392 . . . . 25.0 112.659 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.46 -21.23 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.945 -0.472 . . . . 25.0 111.722 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 76' ' ' PRO . 13.7 t -70.12 -22.63 62.99 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.542 -0.724 . . . . 25.0 110.985 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.41 87.15 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 119.922 -0.711 . . . . 25.0 109.957 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -72.03 -32.65 67.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.513 0.673 . . . . 25.0 110.897 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.77 -46.68 68.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.2 -40.3 93.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 25.0 110.444 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -58.11 -39.11 77.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.231 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -64.74 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.678 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.87 -38.08 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.33 0.586 . . . . 25.0 110.073 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.87 -31.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.601 -0.687 . . . . 25.0 109.264 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -58.14 -46.85 84.92 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.152 -0.343 . . . . 25.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.95 -41.28 74.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.037 -0.414 . . . . 25.0 111.663 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.5 mt -74.09 -40.86 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.87 -35.48 74.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 25.0 110.858 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -111.01 30.88 6.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.103 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -59.75 -26.29 65.56 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -62.91 -35.65 80.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -106.15 7.63 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.267 0.556 . . . . 25.0 111.361 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -125.18 78.53 66.82 Favored Pre-proline 0 N--CA 1.469 0.492 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -66.78 -18.61 53.2 Favored 'Trans proline' 0 C--N 1.346 0.418 0 N-CA-C 114.659 0.984 . . . . 25.0 114.659 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -63.29 -46.39 86.95 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.9 -27.86 6.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.565 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -38.83 85.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.637 -0.664 . . . . 25.0 111.236 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.77 71.18 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.406 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.43 -32.25 58.35 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.992 -0.443 . . . . 25.0 109.819 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.5 -47.68 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.37 90.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.151 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.19 -36.05 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.401 ' HB ' HG13 ' A' ' 51' ' ' ILE . 32.6 m -63.21 -41.78 99.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.06 -41.62 96.96 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.024 -0.423 . . . . 25.0 111.812 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.03 -45.97 91.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.374 0.607 . . . . 25.0 110.534 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.04 -38.08 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.42 -37.1 79.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.617 -0.677 . . . . 25.0 110.615 176.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 N-CA-C 112.848 -0.101 . . . . 25.0 112.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -59.31 -39.37 82.84 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.451 -0.44 . . . . 25.0 111.089 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -75.38 -39.92 58.59 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.025 0.916 . . . . 25.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.42 -35.22 73.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.96 -0.563 . . . . 25.0 110.903 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -76.7 -6.96 54.31 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -99.06 -24.03 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -79.04 103.56 9.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.739 0.304 . . . . 25.0 111.667 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.87 -43.73 6.52 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -74.21 -37.6 63.84 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.473 -0.767 . . . . 25.0 111.773 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.23 -41.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 25.0 110.077 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -45.9 90.9 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.563 0.62 . . . . 25.0 111.567 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -61.67 -41.24 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.186 0.517 . . . . 25.0 110.103 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.45 -23.72 63.71 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -62.14 -39.55 92.96 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -76.02 -42.57 47.56 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.291 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.65 94.46 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.14 -39.69 93.44 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.81 -45.75 67.2 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -66.87 -22.17 65.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.825 0.345 . . . . 25.0 111.393 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -68.42 -18.99 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.366 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 4.27 84.39 Favored Glycine 0 C--O 1.239 0.444 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.407 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.56 145.44 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 107.032 -1.469 . . . . 25.0 107.032 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -97.48 84.34 3.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -170.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.87 159.54 22.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -104.79 160.16 15.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.83 -40.15 91.69 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.953 -0.299 . . . . 25.0 110.345 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.05 82.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.734 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -78.59 -46.9 18.3 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.695 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.78 -53.68 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 -19.96 66.13 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -59.25 -37.14 76.85 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.405 -0.809 . . . . 25.0 109.982 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -73.73 -23.74 59.81 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 121.342 -0.849 . . . . 25.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.62 -27.15 62.91 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 173.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -71.11 -33.85 70.55 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -67.24 -42.07 84.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.155 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -36.03 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 176.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -39.21 86.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.94 -0.475 . . . . 25.0 111.528 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.93 -46.65 20.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -72.87 -29.1 62.92 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.333 0.587 . . . . 25.0 111.611 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.2 m -125.55 78.54 68.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.193 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.18 -16.82 31.68 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.07 0.363 . . . . 25.0 112.669 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -20.0 51.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.315 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -61.92 -53.28 61.41 Favored Pre-proline 0 CA--C 1.543 0.686 0 O-C-N 121.86 -0.525 . . . . 25.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.33 -23.6 23.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 113.78 -3.68 . . . . 25.0 115.136 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.62 -37.27 86.11 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' CD ' HH12 ' A' ' 55' ' ' ARG . 44.0 mt-10 -79.64 -6.78 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.32 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.4 22.22 50.69 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 173.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -130.67 136.98 49.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.767 0.784 . . . . 25.0 110.138 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -124.13 103.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.509 1.147 . . . . 25.0 109.029 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.91 163.24 24.08 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.47 -36.13 75.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -57.13 -37.35 71.88 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.101 0.477 . . . . 25.0 110.492 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.502 HH12 ' CD ' ' A' ' 48' ' ' GLU . 83.6 mtt-85 -79.33 -37.76 36.79 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.866 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -64.69 -30.17 71.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -59.78 -49.88 75.99 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.895 0.855 . . . . 25.0 108.717 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -55.74 -28.64 56.93 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 113.702 -1.59 . . . . 25.0 114.131 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.37 -40.92 87.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.551 0.691 . . . . 25.0 109.396 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.78 -33.47 55.41 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.165 -0.774 . . . . 25.0 111.165 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.88 -39.96 93.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 176.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.6 -43.26 94.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.646 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.16 -39.32 94.32 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -64.96 -45.83 84.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.375 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -67.89 -37.94 82.39 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.559 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.3 -37.4 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.18 -38.21 89.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.075 -0.39 . . . . 25.0 110.221 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.44 -32.36 73.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.961 0.41 . . . . 25.0 110.185 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.1 m -76.12 -42.07 48.13 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.51 0.68 6.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -170.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -177.76 54.23 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 116.331 1.293 . . . . 25.0 116.331 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.92 -8.02 22.68 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.226 2.617 . . . . 25.0 114.944 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.98 -26.99 61.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.063 0.459 . . . . 25.0 111.453 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.39 -38.32 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.798 -0.637 . . . . 25.0 111.414 -171.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.39 131.01 24.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 104.319 -2.474 . . . . 25.0 104.319 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HB2' HG22 ' A' ' 78' ' ' THR . 89.4 Cg_endo -85.86 154.82 10.05 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 115.466 -2.556 . . . . 25.0 112.489 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.31 -23.07 31.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.712 -0.618 . . . . 25.0 111.496 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 76' ' ' PRO . 4.3 t -70.75 -23.01 62.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.665 -0.647 . . . . 25.0 111.318 177.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.57 81.55 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 120.059 -0.656 . . . . 25.0 110.805 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -70.86 -32.34 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 25.0 110.562 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.7 t -68.76 -46.94 67.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.01 -40.87 95.54 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.177 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.75 -39.64 77.85 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.108 -0.37 . . . . 25.0 111.146 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.83 -32.27 72.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.445 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.87 -43.94 97.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.898 0.38 . . . . 25.0 110.149 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.6 mp -77.32 -31.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.03 -49.9 72.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.125 -0.359 . . . . 25.0 110.508 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.275 -0.57 . . . . 25.0 111.287 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.67 -40.52 84.47 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 121.877 -0.514 . . . . 25.0 111.582 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.17 -37.95 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.92 -18.96 65.69 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.01 35.37 3.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.215 0.531 . . . . 25.0 110.582 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.59 -28.73 70.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 94' ' ' GLU . 2.3 pm0 -69.0 -19.31 64.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -111.2 7.34 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.469 0.652 . . . . 25.0 109.44 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -128.55 77.83 76.75 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.76 -19.77 59.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 116.992 -1.539 . . . . 25.0 114.605 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -69.21 -36.09 76.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.95 -29.51 6.64 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.286 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.807 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.76 -43.41 94.31 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.587 0.63 . . . . 25.0 110.208 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.01 71.12 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.401 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.53 -29.6 59.51 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.58 -48.69 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.6 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -62.37 -38.69 90.55 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.644 -0.422 . . . . 25.0 112.136 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -36.6 77.79 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.627 -0.879 . . . . 25.0 108.627 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.26 -39.23 89.58 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.913 -0.492 . . . . 25.0 111.525 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.7 -47.46 72.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.524 . . . . 25.0 110.573 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.7 mt -64.0 -38.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.023 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.42 -37.95 87.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.898 -0.501 . . . . 25.0 112.025 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mttp . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 178.581 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.418 0 N-CA-C 111.963 -0.455 . . . . 25.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.23 -41.14 86.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.935 0.368 . . . . 25.0 111.224 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.46 -23.21 50.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.76 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.16 -39.85 82.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.555 -0.716 . . . . 25.0 109.966 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -14.49 63.03 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 172.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.7 -24.89 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.399 0.619 . . . . 25.0 109.864 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.28 91.56 3.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -45.61 -43.38 12.22 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.55 -24.51 64.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.371 0.605 . . . . 25.0 112.332 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -83.62 -41.37 17.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.48 -36.67 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.188 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.2 -42.57 95.39 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -69.04 -41.23 77.94 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.649 -0.657 . . . . 25.0 109.666 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.13 -23.84 66.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.37 -42.58 74.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -84.07 -37.03 22.59 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.987 -0.552 . . . . 25.0 111.697 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.25 85.9 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.89 -38.49 91.16 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -70.01 -39.28 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 p -67.56 -22.82 65.38 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.977 0.808 . . . . 25.0 111.491 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -23.5 64.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 174.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.77 -0.62 70.67 Favored Glycine 0 C--O 1.238 0.393 0 CA-C-N 116.538 -0.301 . . . . 25.0 113.311 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.14 132.58 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -89.39 84.36 6.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.558 -0.747 . . . . 25.0 109.486 -174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.59 156.84 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.638 0.732 . . . . 25.0 109.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -86.64 138.05 31.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 25.0 109.364 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -49.5 66.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.779 0.323 . . . . 25.0 111.806 177.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.91 66.64 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.037 -0.528 . . . . 25.0 112.41 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -85.96 -38.55 17.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -54.68 18.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.451 -0.499 . . . . 25.0 110.809 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.06 -19.97 63.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -33.82 76.22 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.556 -0.715 . . . . 25.0 109.785 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -75.93 -24.77 55.53 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.734 -0.604 . . . . 25.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.45 -32.08 71.84 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.27 -32.16 60.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.899 -0.501 . . . . 25.0 110.182 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.47 -29.64 69.8 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.296 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.58 -50.81 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 173.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -37.96 89.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.129 -0.941 . . . . 25.0 109.627 -172.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.36 -47.24 77.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.584 -0.735 . . . . 25.0 112.309 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -82.22 -27.39 32.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.464 0.65 . . . . 25.0 112.291 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.5 78.55 62.3 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 122.944 0.498 . . . . 25.0 110.192 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.88 -19.04 40.96 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-O 121.477 0.532 . . . . 25.0 113.319 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -18.8 58.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -68.74 -52.21 18.86 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 121.496 -0.753 . . . . 25.0 112.201 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.93 -23.54 29.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 114.664 -3.091 . . . . 25.0 114.471 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.53 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 25.0 111.504 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.89 -10.6 59.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.58 25.12 34.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 117.688 1.835 . . . . 25.0 117.688 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -133.66 136.96 45.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.821 0.811 . . . . 25.0 110.282 -174.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' HB ' HG13 ' A' ' 103' ' ' VAL . 45.1 mm -111.69 111.58 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.965 1.364 . . . . 25.0 110.221 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -155.63 159.62 39.76 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.332 -1.304 . . . . 25.0 110.916 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.18 -29.92 46.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 111.812 0.301 . . . . 25.0 111.812 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -61.81 -33.44 74.13 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -85.29 -38.43 18.85 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.309 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -64.9 -30.7 71.71 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.14 -40.57 96.4 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.228 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -62.82 -25.53 68.3 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.38 -39.77 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.7 63.49 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -61.0 -38.95 87.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.9 -45.88 84.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.846 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.14 -38.96 93.26 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.91 -42.58 89.98 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.956 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.96 -45.63 84.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.569 0.699 . . . . 25.0 110.665 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.84 -36.14 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.97 -38.53 88.81 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.122 -0.362 . . . . 25.0 110.79 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.16 -35.24 76.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.096 0.474 . . . . 25.0 109.908 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.4 m -73.56 -43.27 60.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.16 1.31 7.16 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 -169.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.61 178.99 52.1 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 117.951 1.94 . . . . 25.0 117.951 172.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.69 -9.64 25.26 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.374 2.716 . . . . 25.0 115.147 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -83.34 -3.99 58.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.38 0.609 . . . . 25.0 111.305 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -123.9 -40.02 2.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.4 -0.818 . . . . 25.0 110.841 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.34 131.13 24.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 103.553 -2.758 . . . . 25.0 103.553 164.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.2 155.95 11.07 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 115.425 -2.583 . . . . 25.0 112.714 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -22.68 30.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 121.87 -0.519 . . . . 25.0 111.523 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -70.77 -23.1 62.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.531 -0.731 . . . . 25.0 111.008 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.84 85.55 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 120.021 -0.672 . . . . 25.0 110.247 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -71.14 -31.39 67.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.418 0.627 . . . . 25.0 111.138 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -71.79 -44.72 63.49 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.83 -42.29 95.05 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.555 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -58.47 -39.85 81.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.935 0.398 . . . . 25.0 111.535 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.7 -31.87 73.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 122.416 0.286 . . . . 25.0 111.142 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.93 -40.45 97.67 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.132 0.491 . . . . 25.0 110.028 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.3 -28.37 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.314 -0.555 . . . . 25.0 109.514 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.56 -46.61 86.53 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 122.071 -0.393 . . . . 25.0 110.039 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.26 -27.95 61.86 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.684 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.85 -41.12 83.42 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.187 -0.32 . . . . 25.0 111.7 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -77.4 -40.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.64 -0.424 . . . . 25.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.58 -36.02 79.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.238 0.542 . . . . 25.0 109.715 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -110.6 37.34 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.763 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -62.52 -22.44 66.29 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 120.907 0.384 . . . . 25.0 110.573 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.61 -34.27 69.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.66 9.25 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.526 0.679 . . . . 25.0 110.532 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -124.85 78.27 65.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -66.75 -19.77 53.03 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 116.881 -1.613 . . . . 25.0 114.654 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -66.32 -41.23 89.96 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -27.92 6.68 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.537 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.195 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 tpt -61.43 -41.69 97.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.978 0.808 . . . . 25.0 110.271 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.76 -25.54 66.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.429 -0.794 . . . . 25.0 110.556 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.1 46.5 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 51' ' ' ILE . 54.1 t -60.47 -51.15 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 175.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.245 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.31 -42.43 99.01 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.875 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.7 m -61.92 -41.91 98.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.61 -50.38 73.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.336 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.67 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.92 -22.34 65.96 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 179.378 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.244 0 CA-C-O 120.971 0.206 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -65.72 -37.98 87.93 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 122.458 -0.437 . . . . 25.0 111.491 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -75.26 -35.88 61.31 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -39.36 90.86 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.77 -0.581 . . . . 25.0 110.289 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -62.36 -32.36 73.14 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 171.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.71 -26.78 55.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.694 0.759 . . . . 25.0 110.236 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 79.74 8.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.31 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.75 -31.91 28.57 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.0 -28.73 70.3 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.383 -0.823 . . . . 25.0 112.936 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CE2' HD22 ' A' ' 15' ' ' LEU . 32.2 t80 -87.5 -36.8 17.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.0 -32.55 47.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -51.53 -49.05 62.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.169 0.588 . . . . 25.0 111.807 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -79.1 -36.02 41.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.802 0.334 . . . . 25.0 111.318 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 11' ' ' TYR . 24.9 tp -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.745 -0.597 . . . . 25.0 112.251 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -63.78 -39.23 93.76 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -69.04 -43.64 74.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.41 90.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.56 -40.56 95.16 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -66.43 -43.1 86.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -23.17 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.924 0.329 . . . . 25.0 111.383 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -71.05 -24.22 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.74 11.9 84.96 Favored Glycine 0 CA--C 1.511 -0.173 0 N-CA-C 111.381 -0.688 . . . . 25.0 111.381 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -84.56 145.98 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -115.43 84.39 2.09 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -134.76 135.29 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 104.45 -2.426 . . . . 25.0 104.45 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -64.86 146.31 55.06 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -43.88 72.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.527 1.306 . . . . 25.0 114.527 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.84 69.57 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.139 0.495 . . . . 25.0 111.579 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.31 -40.23 37.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.42 -55.39 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.452 0.644 . . . . 25.0 109.385 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.36 -19.85 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -65.31 -32.29 73.86 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.904 -1.123 . . . . 25.0 110.127 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -74.03 -23.85 59.47 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.339 -0.851 . . . . 25.0 110.984 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.46 -30.94 66.59 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.8 -33.11 71.92 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.6 -0.687 . . . . 25.0 109.926 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -64.17 -31.67 72.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 25.0 110.687 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.08 -48.94 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.237 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.51 -40.74 95.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.34 -0.846 . . . . 25.0 110.49 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -47.5 44.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.554 0.692 . . . . 25.0 111.072 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.4 m -124.73 80.16 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.203 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.47 -17.72 34.15 Favored 'Trans proline' 0 C--N 1.346 0.398 0 CA-C-O 121.725 0.635 . . . . 25.0 111.647 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -16.4 56.9 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.397 -0.819 . . . . 25.0 111.839 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.62 -50.62 35.04 Favored Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 120.885 -1.134 . . . . 25.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.9 -21.73 37.25 Favored 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 113.162 -4.092 . . . . 25.0 112.91 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -68.02 -36.15 79.46 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.474 0.31 . . . . 25.0 111.374 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.72 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.48 15.52 39.7 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 115.13 0.812 . . . . 25.0 115.13 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -133.51 135.66 44.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -124.0 102.77 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.723 1.249 . . . . 25.0 110.092 -172.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -140.44 162.93 34.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.87 -27.53 42.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -62.56 -42.7 99.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.725 -0.609 . . . . 25.0 110.722 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -83.01 -29.5 28.85 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.998 0.428 . . . . 25.0 110.341 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -65.62 -32.86 74.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.865 0.364 . . . . 25.0 110.204 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.81 -39.97 95.94 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 119.098 -0.477 . . . . 25.0 111.404 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -56.12 -32.28 64.08 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.31 -42.77 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.332 0.587 . . . . 25.0 110.609 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.7 -34.15 59.89 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.418 -0.896 . . . . 25.0 111.481 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -40.07 95.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.6 -44.7 93.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.518 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -62.34 -36.5 82.41 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.716 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.54 -43.11 81.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 25.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -36.63 84.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.747 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -68.11 -38.44 82.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.34 . . . . 25.0 110.602 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.61 -38.58 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.988 0.423 . . . . 25.0 110.581 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -76.91 -42.23 40.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.975 0.732 . . . . 25.0 112.975 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -112.84 -4.22 14.03 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 177.64 51.89 Favored Glycine 0 C--O 1.243 0.664 0 N-CA-C 115.114 0.806 . . . . 25.0 115.114 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.88 -5.28 16.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.889 2.393 . . . . 25.0 113.82 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.3 -25.69 60.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.271 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -107.76 -33.45 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.103 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.84 130.88 24.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 105.486 -2.042 . . . . 25.0 105.486 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -81.29 155.14 19.08 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 115.765 -2.357 . . . . 25.0 111.423 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.38 -20.73 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 121.664 -0.647 . . . . 25.0 110.659 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -75.27 -17.75 60.24 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.751 -0.593 . . . . 25.0 111.409 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.55 79.41 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.689 -0.632 . . . . 25.0 109.553 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -71.67 -30.06 65.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.127 0.489 . . . . 25.0 111.289 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -72.62 -44.55 61.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -62.87 -41.73 99.5 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.776 -0.647 . . . . 25.0 109.737 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.64 -38.96 86.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.977 0.417 . . . . 25.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 6.4 m-80 -65.28 -29.44 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.497 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.3 -43.54 94.42 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.52 -30.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.397 -0.815 . . . . 25.0 108.968 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 2.8 tttp -58.14 -43.74 87.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 118.705 -0.664 . . . . 25.0 110.031 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.55 -28.87 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.319 0.963 . . . . 25.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.41 -41.88 93.12 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.332 -0.248 . . . . 25.0 110.332 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.75 -42.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.77 -36.83 72.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.078 0.551 . . . . 25.0 109.832 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -117.05 34.69 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.522 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -64.74 -22.73 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.561 0.695 . . . . 25.0 109.754 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.83 -29.52 66.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.31 9.72 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.372 0.606 . . . . 25.0 110.748 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -125.58 81.15 65.18 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.17 -24.25 59.17 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 116.953 -1.565 . . . . 25.0 115.334 -174.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.01 -39.26 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.83 -27.77 6.7 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 C-N-CA 120.029 -0.668 . . . . 25.0 110.629 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.31 75.18 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.51 -30.68 63.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.63 -47.99 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.31 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.232 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.52 -38.28 90.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.3 m -67.48 -38.93 85.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -62.13 -42.14 98.95 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.104 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.47 -43.96 93.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.964 0.411 . . . . 25.0 110.442 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.11 -42.87 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.895 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -38.67 90.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.935 0.397 . . . . 25.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.6 mttt . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.269 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.84 -36.74 84.32 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.466 -0.432 . . . . 25.0 111.866 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -76.66 -29.36 56.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.095 -0.378 . . . . 25.0 110.187 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.94 -33.55 76.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.825 -0.547 . . . . 25.0 111.47 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -74.19 -3.83 32.19 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -116.56 -13.29 10.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.219 0.533 . . . . 25.0 110.36 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -78.34 98.4 5.95 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -46.81 -43.21 18.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -65.49 -33.57 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.191 0.812 . . . . 25.0 113.191 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -72.87 -42.32 63.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.98 -31.02 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.94 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.31 -52.39 65.46 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.66 -0.65 . . . . 25.0 111.263 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -69.39 -42.25 75.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.572 0.701 . . . . 25.0 111.468 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.81 -23.4 66.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -36.34 60.34 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.36 -47.75 11.95 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.141 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.35 70.42 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.141 1.163 . . . . 25.0 114.141 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.92 -39.79 90.73 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.02 -36.21 23.3 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.955 1.465 . . . . 25.0 114.955 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -66.34 -19.49 65.82 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -73.31 -17.15 61.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.994 0.426 . . . . 25.0 110.535 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.43 -4.54 72.3 Favored Glycine 0 C--O 1.238 0.37 0 CA-C-O 121.199 0.333 . . . . 25.0 113.003 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -89.37 130.88 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -88.65 84.29 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 m -131.41 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 110.607 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -90.82 161.43 15.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.95 -37.59 74.41 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 122.19 -0.319 . . . . 25.0 110.462 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.21 86.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 25.0 109.999 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.47 -40.51 80.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.2 tp -75.93 -54.27 7.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.14 0.792 . . . . 25.0 113.14 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.54 -20.02 66.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.62 -40.63 65.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.112 0.482 . . . . 25.0 110.076 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.71 -23.86 42.07 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.082 0.401 . . . . 25.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.08 -31.24 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.39 -21.21 39.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.98 0.419 . . . . 25.0 111.484 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.34 -26.92 65.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.182 0.515 . . . . 25.0 109.984 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.15 -45.4 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.09 -42.26 99.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.823 -1.08 . . . . 25.0 112.417 -168.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.87 -36.88 64.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 25.0 112.04 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -79.09 -37.23 39.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.526 0.679 . . . . 25.0 110.65 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.2 79.08 59.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.534 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.72 -14.89 30.23 Favored 'Trans proline' 0 C--N 1.344 0.316 0 CA-C-O 121.732 0.638 . . . . 25.0 111.926 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -14.66 47.92 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.635 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.66 -49.7 38.6 Favored Pre-proline 0 CA--C 1.536 0.438 0 O-C-N 121.104 -0.997 . . . . 25.0 112.082 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.7 -20.09 40.71 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 112.951 -4.233 . . . . 25.0 113.146 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.13 -26.88 65.11 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.68 0.392 . . . . 25.0 111.501 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.22 -19.26 63.16 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.103 -0.373 . . . . 25.0 110.162 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.21 15.74 38.75 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 116.316 1.286 . . . . 25.0 116.316 174.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 m -134.73 135.39 41.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.6 0.7 . . . . 25.0 110.231 -174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG13 ' HB ' ' A' ' 106' ' ' THR . 49.3 mm -107.76 111.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.673 1.225 . . . . 25.0 108.724 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -151.71 154.76 36.94 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.5 tp -68.58 -29.82 45.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.68 -0.691 . . . . 25.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -65.83 -34.17 77.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -83.54 -37.25 23.26 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.208 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -64.07 -30.33 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.707 0.289 . . . . 25.0 111.429 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.92 -42.24 97.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.28 -0.263 . . . . 25.0 110.418 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -55.95 -31.3 62.84 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.27 -40.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 25.0 109.537 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.43 -35.2 59.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -43.71 92.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.45 178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -62.41 -39.16 92.38 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.09 -39.63 82.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.684 0.278 . . . . 25.0 110.977 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -62.99 -47.46 83.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.77 0.795 . . . . 25.0 109.285 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -37.23 86.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.747 -0.661 . . . . 25.0 110.051 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -67.55 -36.41 80.91 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.27 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.428 -0.795 . . . . 25.0 110.186 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -69.61 -41.97 75.01 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.24 2.44 8.51 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.898 1.814 . . . . 25.0 115.898 -172.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.4 -175.27 54.84 Favored Glycine 0 C--O 1.242 0.623 0 C-N-CA 120.539 -0.839 . . . . 25.0 114.87 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.08 -5.5 17.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 121.862 1.708 . . . . 25.0 114.748 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.44 -6.4 53.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.582 . . . . 25.0 112.538 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -117.47 -36.11 3.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.763 -0.653 . . . . 25.0 112.6 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.39 130.89 24.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.53 158.32 14.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 117.152 -1.432 . . . . 25.0 112.137 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.28 -23.33 32.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.708 -0.62 . . . . 25.0 111.426 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -72.3 -21.23 61.37 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.53 -0.731 . . . . 25.0 111.231 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.21 86.85 Favored 'General case' 0 C--O 1.218 -0.583 0 C-N-CA 119.684 -0.806 . . . . 25.0 109.015 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -71.67 -32.1 67.5 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.011 0.434 . . . . 25.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.1 t -69.21 -46.98 66.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.77 -44.43 96.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -59.51 -40.48 87.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.45 -31.39 72.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 25.0 110.819 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.587 0.708 . . . . 25.0 109.745 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.72 -30.67 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.5 -46.13 89.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.89 -0.506 . . . . 25.0 110.004 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.2 -26.76 60.45 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.853 -0.739 . . . . 25.0 110.54 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.46 -40.89 89.63 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.043 -0.411 . . . . 25.0 111.437 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.9 mt -75.75 -41.72 40.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.27 -35.69 77.99 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.112 0.482 . . . . 25.0 109.862 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 44.1 mmtt -112.15 38.9 2.56 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.474 0.654 . . . . 25.0 112.481 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -62.99 -21.59 66.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.288 -0.869 . . . . 25.0 109.721 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.89 0.876 . . . . 25.0 113.244 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -114.19 9.07 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.657 0.741 . . . . 25.0 110.346 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -123.87 78.76 57.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.285 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.39 -17.79 54.22 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 116.746 -1.703 . . . . 25.0 113.141 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.8 -44.57 92.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.88 -25.22 6.97 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.18 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.575 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.48 -38.74 88.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.861 -0.524 . . . . 25.0 110.268 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.29 68.33 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.862 -0.524 . . . . 25.0 110.573 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.81 -29.98 50.94 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.58 -49.83 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.24 86.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.845 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.7 -35.62 81.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.4 m -63.34 -40.75 98.17 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.22 -40.27 95.56 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.211 -0.596 . . . . 25.0 112.091 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.45 -45.65 91.0 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 25.0 109.843 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.43 -41.11 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.459 -0.791 . . . . 25.0 109.735 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.69 -38.97 90.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.088 -0.383 . . . . 25.0 111.813 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.4 mttt . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 120.646 0.26 . . . . 25.0 111.685 -179.557 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.33 0 N-CA-C 111.126 -0.789 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.79 -35.66 81.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.032 0.444 . . . . 25.0 110.722 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.37 -40.95 81.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.318 0.58 . . . . 25.0 109.896 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.9 -37.07 86.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.3 65.26 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -89.35 -20.85 23.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.152 0.501 . . . . 25.0 110.77 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 90.0 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -50.37 -36.34 32.07 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.065 1.506 . . . . 25.0 115.065 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -65.38 -29.94 70.71 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.449 -0.782 . . . . 25.0 111.645 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -79.55 -40.45 29.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 25.0 109.18 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.38 -39.83 70.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.093 -0.958 . . . . 25.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -57.3 -45.75 83.84 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.007 0.821 . . . . 25.0 112.634 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -66.96 -37.83 85.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 25.0 109.635 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -29.05 68.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.713 0.635 . . . . 25.0 112.713 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -59.99 -41.8 92.84 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.98 -45.18 59.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.355 -0.838 . . . . 25.0 110.082 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.92 99.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -40.43 96.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.68 -41.46 75.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 p -65.65 -23.62 66.84 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -73.18 -20.67 60.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.052 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.23 23.99 69.77 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 121.027 -0.606 . . . . 25.0 113.495 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.66 142.27 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.442 0.639 . . . . 25.0 109.914 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -81.23 84.44 6.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.785 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.17 128.62 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.13 140.57 48.91 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -49.07 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.34 72.57 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.373 -0.376 . . . . 25.0 111.309 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.73 58.35 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 121.185 -0.206 . . . . 25.0 111.113 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.99 -53.06 19.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.53 0.681 . . . . 25.0 109.419 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.56 -20.35 66.29 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -59.44 -40.21 86.06 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 109.889 173.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -76.51 -23.82 53.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.694 -0.629 . . . . 25.0 111.827 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.79 -30.28 68.82 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.76 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.127 -0.358 . . . . 25.0 110.067 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.87 -30.67 71.31 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.721 0.296 . . . . 25.0 110.69 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -64.42 -36.95 85.83 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.595 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.07 -57.44 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 -26.17 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.554 0.692 . . . . 25.0 112.176 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.6 m -127.84 77.34 76.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.44 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.62 -16.02 33.91 Favored 'Trans proline' 0 C--N 1.346 0.422 0 CA-C-O 121.608 0.587 . . . . 25.0 112.384 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -14.09 59.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.041 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -66.72 -52.32 34.53 Favored Pre-proline 0 CA--C 1.543 0.69 0 O-C-N 121.411 -0.805 . . . . 25.0 111.487 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -21.06 37.67 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.608 -3.795 . . . . 25.0 113.837 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.81 -37.56 86.59 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.172 0.189 . . . . 25.0 111.14 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.964 0.411 . . . . 25.0 109.95 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 17.44 49.17 Favored Glycine 0 C--O 1.227 -0.281 0 CA-C-N 116.102 -0.499 . . . . 25.0 113.848 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 m -126.86 122.35 34.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -117.66 102.53 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.738 1.256 . . . . 25.0 109.774 -171.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -141.61 165.59 27.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.74 -28.26 44.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.512 0.196 . . . . 25.0 110.717 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.92 -37.69 88.32 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.949 -0.469 . . . . 25.0 110.687 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.53 -39.84 44.66 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.874 0.368 . . . . 25.0 110.23 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -64.02 -31.7 72.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.967 0.413 . . . . 25.0 112.106 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.77 -41.82 98.19 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.292 -0.385 . . . . 25.0 110.644 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -57.32 -32.92 67.18 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.264 0.468 . . . . 25.0 112.264 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.54 -40.82 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.471 0.653 . . . . 25.0 109.755 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.06 53.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.431 -0.89 . . . . 25.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.89 -39.93 95.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.42 -46.43 88.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.272 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.5 -39.28 92.99 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -66.24 -44.48 83.61 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.457 -0.097 . . . . 25.0 111.126 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.22 -47.84 80.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.84 -32.27 73.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.769 0.318 . . . . 25.0 111.385 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -67.77 -48.32 66.69 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.733 -0.212 . . . . 25.0 111.069 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.37 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.172 0.511 . . . . 25.0 112.339 -173.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.2 m -56.35 -38.26 71.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.317 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -127.22 -48.11 1.46 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.77 -170.2 24.08 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 109.82 -1.312 . . . . 25.0 109.82 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.82 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.757 1.638 . . . . 25.0 114.45 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -70.73 -28.67 64.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -89.32 -39.73 13.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.28 130.87 22.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 78' ' ' THR . 72.4 Cg_endo -75.53 147.46 32.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 115.208 -2.728 . . . . 25.0 112.912 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.57 -22.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.954 -0.466 . . . . 25.0 111.759 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 76' ' ' PRO . 3.5 t -70.04 -23.28 63.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.548 -0.72 . . . . 25.0 111.17 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.17 86.66 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 119.763 -0.775 . . . . 25.0 109.892 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -70.97 -32.95 69.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.343 0.592 . . . . 25.0 110.705 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -66.89 -46.15 75.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.97 -40.41 91.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.912 -0.586 . . . . 25.0 110.663 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.76 -37.15 75.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.772 0.32 . . . . 25.0 110.938 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -67.96 -24.38 65.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 tt -70.32 -45.19 66.7 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.69 -29.1 25.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.603 0.716 . . . . 25.0 109.663 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -56.27 -52.13 65.63 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.467 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.21 -30.55 69.65 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.573 0.624 . . . . 25.0 111.238 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.49 -45.31 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 25.0 111.682 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.6 mt -80.31 -39.78 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.634 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.31 -32.33 68.37 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.485 0.314 . . . . 25.0 111.842 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -124.46 35.57 4.78 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.617 0.722 . . . . 25.0 111.886 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -57.77 -34.85 70.01 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.463 -0.789 . . . . 25.0 111.621 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.56 -17.93 64.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.38 9.56 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.327 0.584 . . . . 25.0 110.019 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -134.72 85.69 35.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.229 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.69 -20.25 46.77 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.22 -1.386 . . . . 25.0 114.744 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.57 -43.24 90.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 m -84.91 -28.39 6.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.793 -0.639 . . . . 25.0 110.622 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -37.41 87.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 25.0 110.237 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.0 -33.0 73.53 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.833 0.349 . . . . 25.0 110.191 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.36 -32.65 55.17 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.27 -48.35 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.68 95.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.946 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.24 -37.76 88.51 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.882 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.4 m -63.66 -42.63 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -60.7 -45.06 95.66 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.384 -0.526 . . . . 25.0 110.241 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -65.81 -38.95 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.25 -43.04 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.32 -42.49 92.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.352 . . . . 25.0 110.08 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.4 mttt . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.054 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 111.784 -0.526 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -67.84 -28.41 67.53 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.422 -0.458 . . . . 25.0 112.045 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -73.91 -46.37 44.85 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -53.81 -35.33 61.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 -17.65 61.85 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -101.32 -17.91 16.32 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.54 0.686 . . . . 25.0 110.665 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -76.3 81.75 3.06 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -49.31 -32.41 11.0 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 115.921 1.822 . . . . 25.0 115.921 -170.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.75 71.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.364 -0.835 . . . . 25.0 111.905 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -78.21 -44.21 26.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.92 -32.01 51.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-N 114.74 -1.118 . . . . 25.0 111.298 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.98 -46.3 71.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.86 0.755 . . . . 25.0 111.375 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -77.85 -39.69 42.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.384 0.611 . . . . 25.0 110.686 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.51 -24.84 66.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -64.76 -37.02 86.2 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.42 -38.24 35.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.804 -0.634 . . . . 25.0 109.58 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.14 86.45 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.9 -41.49 96.17 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.75 -49.26 71.48 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.477 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -73.15 -19.54 61.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.116 -0.365 . . . . 25.0 111.863 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.474 HH11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -74.59 -24.37 58.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.389 -0.596 . . . . 25.0 109.389 175.465 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.08 10.85 85.92 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 111.693 -0.563 . . . . 25.0 111.693 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.79 114.62 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.203 1.001 . . . . 25.0 109.046 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -86.21 84.42 7.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.866 -175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.61 158.7 37.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.681 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -77.77 148.59 34.74 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 104.601 -2.37 . . . . 25.0 104.601 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -43.78 84.18 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.771 -0.58 . . . . 25.0 111.692 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.97 74.07 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.127 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -73.2 -45.67 54.93 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.71 -51.55 67.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.819 0.818 . . . . 25.0 110.137 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.95 -19.89 65.8 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -62.46 -30.71 71.44 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.099 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -76.05 -23.79 55.12 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.271 -0.893 . . . . 25.0 111.543 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -73.99 -17.73 60.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.94 -35.13 22.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.466 0.651 . . . . 25.0 109.915 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -64.34 -36.89 85.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -35.14 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 122.232 -0.293 . . . . 25.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.44 -39.84 88.95 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.7 -40.89 72.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.108 0.48 . . . . 25.0 111.424 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -73.97 -33.03 63.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.639 0.733 . . . . 25.0 110.123 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.03 76.17 40.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.39 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.45 -11.17 29.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.273 -0.685 . . . . 25.0 112.106 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 -10.82 48.35 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.345 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.2 -48.16 77.28 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 121.443 -0.786 . . . . 25.0 112.026 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.24 -17.71 39.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 113.74 -3.706 . . . . 25.0 113.802 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -71.74 -32.31 67.6 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.09 -25.72 63.65 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.1 13.2 19.19 Favored Glycine 0 C--O 1.223 -0.575 0 N-CA-C 116.769 1.468 . . . . 25.0 116.769 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.727 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 34.2 m -132.3 136.75 47.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.494 0.647 . . . . 25.0 109.789 -171.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.411 HG13 ' HB ' ' A' ' 106' ' ' THR . 48.5 mm -105.65 111.74 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.713 1.244 . . . . 25.0 108.73 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -149.88 162.64 39.93 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.19 -29.68 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 116.165 -0.471 . . . . 25.0 110.634 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -65.18 -39.1 92.45 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.509 -0.745 . . . . 25.0 109.708 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.727 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 1.9 mpt_? -70.79 -40.85 72.31 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.173 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -70.33 -32.48 70.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -64.97 -40.6 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.673 -0.642 . . . . 25.0 109.61 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -56.53 -28.39 59.85 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.27 -39.47 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.398 0.618 . . . . 25.0 109.538 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -36.41 77.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.786 -0.926 . . . . 25.0 110.786 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.69 -40.39 96.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.77 95.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.893 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.93 -41.7 98.26 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -67.06 -38.69 86.24 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.999 -0.28 . . . . 25.0 111.009 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.66 -44.52 93.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.895 0.855 . . . . 25.0 110.883 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -31.52 69.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.681 -0.691 . . . . 25.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -68.14 -41.35 81.76 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.804 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.28 -28.73 68.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.85 -0.531 . . . . 25.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.1 m -72.34 -36.78 68.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.25 -13.29 5.6 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.87 1.804 . . . . 25.0 115.87 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.04 -169.31 32.05 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 111.184 -0.766 . . . . 25.0 111.184 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.33 -3.64 13.36 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.624 1.55 . . . . 25.0 115.488 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.29 -22.17 63.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.135 -0.353 . . . . 25.0 110.937 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -101.28 -38.46 8.06 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 114.206 1.187 . . . . 25.0 114.206 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.63 130.95 23.61 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.3 157.84 17.24 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 116.306 -1.996 . . . . 25.0 111.841 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.68 -23.09 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.867 -0.521 . . . . 25.0 111.394 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -71.1 -23.78 62.17 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.654 -0.654 . . . . 25.0 111.319 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.75 84.44 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.859 -0.736 . . . . 25.0 109.953 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.24 -31.11 67.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.425 0.631 . . . . 25.0 110.261 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -70.43 -47.88 58.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.15 -40.14 96.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.009 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -58.35 -39.45 79.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.689 0.28 . . . . 25.0 111.006 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.14 -28.59 68.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.533 -0.303 . . . . 25.0 111.67 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HH11 ' A' ' 22' ' ' ARG . 2.6 tt -66.93 -40.32 87.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.185 0.517 . . . . 25.0 110.305 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.36 -30.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 25.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.9 -52.5 64.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.077 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.18 -28.37 67.22 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.288 -0.565 . . . . 25.0 111.054 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.14 -39.88 93.63 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.098 -0.376 . . . . 25.0 111.208 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.2 mt -77.69 -40.81 28.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -35.3 73.02 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.365 0.602 . . . . 25.0 109.407 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -113.13 34.46 4.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 25.0 112.112 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -66.0 -19.61 65.92 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.15 0.5 . . . . 25.0 110.318 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.7 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.795 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.91 8.55 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.527 0.68 . . . . 25.0 110.196 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -124.46 79.88 60.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -66.33 -19.64 55.71 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.509 -1.194 . . . . 25.0 114.523 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -65.26 -46.59 79.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 p -79.76 -28.21 12.69 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.306 0 C-N-CA 119.878 -0.729 . . . . 25.0 110.059 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.6 tpt -60.54 -39.41 87.81 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.663 0.665 . . . . 25.0 110.721 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.52 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.312 -0.868 . . . . 25.0 110.645 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 -30.49 46.06 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -47.48 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.93 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.53 -37.1 84.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.7 m -61.06 -42.61 98.81 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.65 -38.57 78.41 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.7 -44.52 93.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.771 0.795 . . . . 25.0 109.403 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.76 -34.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 25.0 109.996 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.31 -35.94 80.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.961 -0.462 . . . . 25.0 111.367 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm . . . . . 0 N--CA 1.474 0.772 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.547 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.207 0 N-CA-C 110.182 -1.167 . . . . 25.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.17 -35.6 80.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.331 -0.511 . . . . 25.0 110.248 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -33.99 74.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.97 -37.19 85.36 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 25.0 109.978 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -71.61 -17.01 62.3 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 175.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -95.73 -21.29 18.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 25.0 109.888 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -82.24 100.77 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.26 -40.61 64.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -40.84 93.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.989 0.423 . . . . 25.0 111.735 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.34 -45.03 61.69 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.88 -41.43 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.128 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.28 -43.14 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.126 0.417 . . . . 25.0 112.126 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -37.93 57.81 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -23.49 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.63 -40.54 72.29 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.76 -34.58 30.34 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.353 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.87 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.34 -41.15 98.85 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -68.5 -42.4 78.65 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 t -69.79 -15.88 63.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.752 0.31 . . . . 25.0 111.463 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -21.52 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.277 -0.264 . . . . 25.0 110.764 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -2.86 71.17 Favored Glycine 0 C--O 1.235 0.217 0 CA-C-O 121.399 0.444 . . . . 25.0 112.263 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.01 124.53 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -85.85 84.4 7.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.87 148.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.175 0.512 . . . . 25.0 109.981 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.31 136.85 44.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -48.75 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 25.0 111.52 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.12 75.39 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.045 -0.525 . . . . 25.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.35 -40.87 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.281 -0.168 . . . . 25.0 110.754 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.46 -52.77 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.429 0.633 . . . . 25.0 109.551 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.71 -22.59 66.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -30.25 71.36 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.893 -0.504 . . . . 25.0 110.566 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.65 -27.06 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.77 -0.581 . . . . 25.0 111.556 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -73.68 -27.75 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.222 -0.591 . . . . 25.0 110.143 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.25 -21.44 56.35 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.854 0.359 . . . . 25.0 110.35 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.62 -37.4 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.714 0.292 . . . . 25.0 110.877 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -26.77 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.934 -0.479 . . . . 25.0 110.336 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.68 -39.44 91.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.588 . . . . 25.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.44 -52.37 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.226 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -73.09 -25.85 61.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.56 76.16 78.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.0 -14.64 32.29 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 CA-C-O 121.684 0.618 . . . . 25.0 112.295 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -13.02 54.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.059 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -65.65 -51.15 51.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 121.569 -0.707 . . . . 25.0 111.374 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -70.38 -20.67 31.6 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 113.962 -3.559 . . . . 25.0 113.784 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -66.14 -43.54 86.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.93 -37.12 85.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.52 33.23 75.76 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.78 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.41 ' HB ' HH11 ' A' ' 55' ' ' ARG . 88.2 m -129.5 132.14 46.82 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.434 HG13 ' HB ' ' A' ' 106' ' ' THR . 47.1 mm -111.24 107.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 123.218 1.485 . . . . 25.0 110.655 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -155.1 164.49 38.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.529 -1.669 . . . . 25.0 108.033 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.25 -28.63 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.479 -0.328 . . . . 25.0 110.464 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.24 -38.4 86.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.05 0.452 . . . . 25.0 109.891 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.0 OUTLIER -78.0 -41.15 36.81 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.004 -0.544 . . . . 25.0 110.207 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -64.77 -31.05 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -62.63 -41.67 99.16 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.027 -0.421 . . . . 25.0 111.459 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -56.69 -31.36 64.39 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -39.42 82.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.484 0.659 . . . . 25.0 109.662 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.53 -35.83 62.77 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.466 -0.873 . . . . 25.0 110.959 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -62.63 -39.41 93.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -45.0 92.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 25.0 111.635 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -64.04 -37.63 88.15 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.306 -0.558 . . . . 25.0 109.731 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -64.31 -42.4 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.511 0.196 . . . . 25.0 110.668 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.55 -47.57 75.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.879 0.847 . . . . 25.0 110.31 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -37.3 80.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.016 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.66 -39.6 73.51 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.421 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -32.95 70.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.261 -0.899 . . . . 25.0 110.189 -177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 m -66.19 -41.21 90.52 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -125.75 1.9 7.46 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.427 2.01 . . . . 25.0 116.427 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.29 -173.76 55.13 Favored Glycine 0 C--O 1.244 0.725 0 O-C-N 121.721 -0.612 . . . . 25.0 114.472 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.09 -9.69 26.05 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.777 1.652 . . . . 25.0 113.736 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.76 -19.63 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 25.0 110.41 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -106.84 -44.48 4.42 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.48 130.87 24.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.988 -1.856 . . . . 25.0 105.988 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HB2' HG22 ' A' ' 78' ' ' THR . 92.8 Cg_endo -82.05 152.05 16.37 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 115.055 -2.83 . . . . 25.0 112.831 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.35 -20.75 27.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.856 -0.527 . . . . 25.0 111.443 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 76' ' ' PRO . 11.0 t -70.97 -23.58 62.24 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.533 -0.73 . . . . 25.0 111.061 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.06 86.34 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 119.865 -0.734 . . . . 25.0 109.309 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.91 -32.94 67.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 25.0 110.68 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -46.3 73.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.415 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.2 m-85 -64.61 -43.5 93.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.891 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -56.57 -38.29 71.76 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.237 -0.289 . . . . 25.0 111.033 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -69.2 -32.01 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.854 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.56 -41.92 98.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 82' ' ' TYR . 4.1 mp -79.77 -30.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 121.879 -0.513 . . . . 25.0 110.047 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -56.07 -49.92 72.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.881 -0.512 . . . . 25.0 109.973 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.98 -28.47 64.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.15 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.88 -43.46 88.26 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.173 -0.329 . . . . 25.0 110.967 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.91 -39.3 37.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 120.851 0.358 . . . . 25.0 110.3 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.06 -35.7 79.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.82 38.9 2.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.418 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -59.3 -24.28 63.15 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.008 0.432 . . . . 25.0 111.682 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.89 -42.37 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.747 0.819 . . . . 25.0 112.824 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.3 9.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.351 0.596 . . . . 25.0 110.784 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -124.6 77.87 63.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -66.92 -18.17 52.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.17 -1.42 . . . . 25.0 114.509 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -67.59 -48.5 66.66 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -26.0 21.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.366 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -37.2 86.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 25.0 109.697 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.86 -28.85 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 25.0 110.285 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.36 -28.39 47.12 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.861 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.72 -53.26 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.73 87.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.038 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.41 -38.84 92.69 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.725 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.434 ' HB ' HG13 ' A' ' 51' ' ' ILE . 27.1 m -67.19 -42.78 83.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.99 -43.68 91.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.384 -0.198 . . . . 25.0 110.972 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.53 -40.86 98.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.245 -0.284 . . . . 25.0 111.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.32 -41.56 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.31 -37.74 88.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.118 -0.364 . . . . 25.0 110.816 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.111 0 CA-C-O 120.019 -0.323 . . . . 25.0 113.792 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -62.11 -45.19 94.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.576 0.688 . . . . 25.0 110.886 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.39 -26.08 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.856 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.85 -40.33 94.98 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.018 -0.426 . . . . 25.0 110.698 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -66.6 -15.57 63.55 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.6 -15.82 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.82 0.343 . . . . 25.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -83.63 90.52 7.28 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -48.87 -36.65 17.5 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.315 1.968 . . . . 25.0 116.315 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -60.3 -45.47 93.27 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.06 0.933 . . . . 25.0 110.736 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -70.59 -42.62 70.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.421 -1.263 . . . . 25.0 109.799 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.99 -37.91 50.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.127 -0.942 . . . . 25.0 110.985 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -58.52 -41.81 86.3 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.808 1.186 . . . . 25.0 113.278 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.472 -0.767 . . . . 25.0 110.889 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -29.67 69.93 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.168 0.509 . . . . 25.0 111.023 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.8 -41.79 98.18 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.595 0.758 . . . . 25.0 109.921 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -71.18 -39.04 72.1 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.32 93.0 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.13 -41.51 98.32 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -66.6 -43.08 85.79 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 t -73.6 -20.46 60.6 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.529 -0.468 . . . . 25.0 111.345 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -79.04 -25.67 43.2 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.96 11.0 81.31 Favored Glycine 0 C--O 1.238 0.353 0 CA-C-O 121.579 0.544 . . . . 25.0 111.779 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.43 130.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.539 0.685 . . . . 25.0 109.538 -175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -96.77 84.59 3.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.6 t -144.47 142.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -65.95 140.58 58.33 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -49.46 68.27 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.12 73.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.696 0.284 . . . . 25.0 111.479 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.62 -38.2 70.83 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.25 -51.74 66.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.766 0.793 . . . . 25.0 108.929 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.08 -20.55 65.83 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.499 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -66.02 -31.67 72.7 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.079 -1.013 . . . . 25.0 110.411 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -77.33 -23.85 50.87 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.291 -0.88 . . . . 25.0 111.456 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.82 -30.08 68.55 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 170.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.95 -33.59 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.264 0.554 . . . . 25.0 111.434 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -63.69 -24.41 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.661 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.5 t -58.35 -43.43 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 116.335 -0.393 . . . . 25.0 109.951 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.14 -36.3 82.78 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.342 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.63 -55.78 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -29.09 45.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -130.01 68.31 80.72 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.36 -0.382 . . . . 25.0 110.912 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.71 -14.57 36.42 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.799 1.038 . . . . 25.0 114.799 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -9.66 57.88 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -69.88 -52.84 12.61 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.531 -0.731 . . . . 25.0 111.379 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.03 -15.06 35.96 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 114.573 -3.151 . . . . 25.0 114.205 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -61.85 -37.4 84.38 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.955 0.407 . . . . 25.0 110.73 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -75.48 -24.92 56.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 25.0 110.747 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.98 27.03 59.13 Favored Glycine 0 C--O 1.228 -0.232 0 CA-C-N 115.684 -0.689 . . . . 25.0 114.41 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.8 m -128.99 129.02 44.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.17 90.61 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 123.644 1.687 . . . . 25.0 110.109 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -124.57 158.69 32.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 104.549 -2.389 . . . . 25.0 104.549 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 tp -62.61 -30.09 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -67.65 -32.99 74.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.76 -0.587 . . . . 25.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -81.18 -32.12 33.71 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -64.47 -27.29 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -53.98 -44.8 71.1 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -53.72 -32.97 54.02 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.74 -39.24 77.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 -176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.86 -35.18 51.21 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.07 -39.12 91.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -45.78 90.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.348 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.26 -38.51 91.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.17 -38.35 78.66 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 111.668 0.248 . . . . 25.0 111.668 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.03 -41.56 81.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.905 0.859 . . . . 25.0 110.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.04 -36.91 85.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.82 -37.75 82.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.456 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.96 -31.53 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.108 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.0 m -69.44 -46.91 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.19 1.04 6.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.236 2.31 . . . . 25.0 117.236 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.69 -170.29 51.61 Favored Glycine 0 C--O 1.242 0.625 0 C-N-CA 120.63 -0.795 . . . . 25.0 114.336 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.66 -7.16 20.62 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.162 1.908 . . . . 25.0 115.659 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.53 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.218 -0.301 . . . . 25.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -110.0 -37.69 5.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.62 131.15 24.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.46 152.75 26.75 Favored 'Trans proline' 0 CA--C 1.517 -0.367 0 C-N-CA 115.339 -2.64 . . . . 25.0 111.699 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.9 -20.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 121.831 -0.543 . . . . 25.0 110.644 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -73.14 -20.34 60.94 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.776 -0.578 . . . . 25.0 111.385 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.09 80.41 Favored 'General case' 0 C--O 1.221 -0.398 0 O-C-N 121.639 -0.663 . . . . 25.0 109.413 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -73.42 -30.35 63.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 25.0 111.08 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -71.09 -44.62 65.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.07 -45.36 95.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.618 175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.53 -39.23 79.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.95 0.405 . . . . 25.0 111.77 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -64.67 -29.81 70.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.356 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.94 -40.04 83.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 121.261 0.553 . . . . 25.0 110.442 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.85 -30.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 121.282 -0.887 . . . . 25.0 108.845 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -59.78 -46.86 87.87 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.858 -0.526 . . . . 25.0 110.355 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.17 -31.78 71.57 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.798 0.726 . . . . 25.0 109.846 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.04 -39.67 79.04 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 112.651 0.612 . . . . 25.0 112.651 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.12 -42.33 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.635 0.652 . . . . 25.0 109.646 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.64 -35.19 73.89 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.991 0.424 . . . . 25.0 110.211 -175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -116.63 36.75 4.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.488 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -64.62 -19.04 65.45 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.075 0.464 . . . . 25.0 110.202 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.15 -27.23 66.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.1 m -120.37 11.79 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.293 0.568 . . . . 25.0 110.996 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -124.71 77.92 64.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.24 -20.46 49.3 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.245 -1.37 . . . . 25.0 115.003 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.04 -44.56 95.54 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.47 -30.3 7.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.523 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -40.87 86.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.934 0.788 . . . . 25.0 110.633 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.14 71.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.141 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.03 -30.71 34.81 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.5 -49.3 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.75 96.29 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.268 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.14 -34.4 77.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 m -69.26 -39.0 78.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.94 -37.1 83.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 119.712 -0.185 . . . . 25.0 110.933 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.07 -50.67 63.33 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.37 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.44 -37.17 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.893 -0.594 . . . . 25.0 109.889 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.65 -30.52 71.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.439 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 18.0 mmtp . . . . . 0 N--CA 1.474 0.76 0 CA-C-N 118.56 0.618 . . . . 25.0 111.162 175.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.352 0 CA-C-O 119.739 -0.478 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.07 -34.69 78.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.739 0.769 . . . . 25.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -72.29 -35.73 68.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 25.0 109.822 178.618 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.56 -39.71 84.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -13.55 32.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 169.078 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -98.21 -17.52 18.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.703 0.763 . . . . 25.0 109.562 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -86.24 96.73 10.04 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 177.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.72 -38.95 57.43 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -176.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -58.4 -37.77 76.0 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.955 -0.466 . . . . 25.0 111.487 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.27 -39.39 54.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.35 0.595 . . . . 25.0 110.209 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.94 -42.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 115.669 -0.696 . . . . 25.0 112.019 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 119.267 0.939 . . . . 25.0 112.316 -178.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.316 0.579 . . . . 25.0 110.041 176.493 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -30.72 67.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.958 -0.464 . . . . 25.0 112.251 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.6 -40.48 87.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 174.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.93 -47.5 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 177.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.94 96.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.788 1.032 . . . . 25.0 113.788 -176.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 28' ' ' PHE . 3.3 mp -62.3 -40.85 97.64 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.41 -41.63 72.72 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 p -66.76 -30.69 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.737 0.303 . . . . 25.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -73.08 -25.86 61.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 25.0 110.048 176.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 7.55 73.95 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-O 121.542 0.523 . . . . 25.0 111.814 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.63 133.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -175.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -100.72 84.24 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.997 -170.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.22 139.44 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.22 138.07 58.23 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.421 -1.696 . . . . 25.0 106.421 176.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 19' ' ' LEU . 18.8 t80 -55.14 -48.01 74.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -35.18 76.01 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.826 0.346 . . . . 25.0 111.37 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -76.39 -28.37 56.69 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.708 -0.223 . . . . 25.0 110.687 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.89 -49.62 56.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 178.592 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.92 -35.04 75.66 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.843 -0.536 . . . . 25.0 110.455 174.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.85 -23.96 52.69 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.463 -0.773 . . . . 25.0 111.354 177.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.66 -19.94 60.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 173.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.95 -34.8 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.484 0.659 . . . . 25.0 110.246 177.029 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.57 -35.27 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -176.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.64 -35.04 68.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 O-C-N 122.068 -0.395 . . . . 25.0 110.164 178.023 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.82 -36.59 84.4 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.114 -0.366 . . . . 25.0 111.011 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.43 -53.52 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 25.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -73.88 -29.0 61.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.467 0.651 . . . . 25.0 112.64 -177.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.2 m -120.96 80.23 33.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.054 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.96 -13.37 31.6 Favored 'Trans proline' 0 C--N 1.344 0.318 0 CA-C-O 121.48 0.533 . . . . 25.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.77 -19.95 28.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.916 176.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.35 -46.18 90.1 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.99 -21.54 32.28 Favored 'Trans proline' 0 C--N 1.358 1.068 1 C-N-CA 112.8 -4.333 . . . . 25.0 113.662 177.061 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -75.65 -25.93 57.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.407 0.146 . . . . 25.0 111.165 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.1 -26.91 65.16 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.74 53.92 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.713 0.645 . . . . 25.0 114.713 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -129.37 128.86 43.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.358 0.579 . . . . 25.0 110.211 -174.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' HB ' ' A' ' 106' ' ' THR . 29.0 mm -113.36 111.36 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 122.902 1.334 . . . . 25.0 109.988 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -155.94 163.07 40.21 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.752 -1.567 . . . . 25.0 107.823 175.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.15 -32.79 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.358 -178.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -67.74 -29.85 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.894 -0.504 . . . . 25.0 109.679 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.36 43.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -61.27 -27.2 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 -177.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.38 -49.28 67.54 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.013 0.435 . . . . 25.0 109.856 177.316 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -59.84 -27.59 66.77 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.6 -40.1 83.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.46 0.648 . . . . 25.0 109.751 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -34.03 51.02 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.408 -0.901 . . . . 25.0 110.923 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 176.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -43.26 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.882 178.747 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.72 -35.0 75.24 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -67.97 -45.94 72.79 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.716 -178.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.44 -37.99 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.049 0.452 . . . . 25.0 110.506 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.19 -36.99 82.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -66.72 -39.82 88.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.641 175.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.3 -34.27 77.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.015 -0.428 . . . . 25.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 m -82.19 -42.19 19.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -117.11 2.72 12.67 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 -172.045 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.73 -175.26 53.61 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 116.175 1.23 . . . . 25.0 116.175 175.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.71 -13.21 34.48 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.696 1.598 . . . . 25.0 113.384 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.72 -15.22 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 25.0 110.873 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.79 -41.4 4.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.09 130.81 24.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.67 154.14 17.86 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 115.764 -2.357 . . . . 25.0 110.655 173.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.44 -20.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 121.453 -0.78 . . . . 25.0 110.889 177.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -75.55 -18.16 59.86 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.663 -0.648 . . . . 25.0 111.651 177.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.54 80.57 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.501 -0.749 . . . . 25.0 109.501 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.79 -31.61 70.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.56 . . . . 25.0 110.751 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -72.86 -45.02 60.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.51 -45.25 94.99 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 175.422 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -57.55 -38.36 74.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.754 0.311 . . . . 25.0 111.306 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.16 -34.19 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.808 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.96 -46.0 86.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.7 -32.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.52 -44.95 85.49 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 121.57 -0.706 . . . . 25.0 110.578 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.07 -24.57 60.69 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.242 -0.983 . . . . 25.0 110.815 -178.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.13 -38.8 79.03 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.166 -0.333 . . . . 25.0 110.693 177.08 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -78.18 -39.37 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.174 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.65 94.97 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 179.365 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -100.99 33.96 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.273 -176.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? -59.38 -26.84 65.45 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.003 0.43 . . . . 25.0 111.027 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -61.23 -33.99 74.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.988 1.107 . . . . 25.0 113.988 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.58 10.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.554 0.692 . . . . 25.0 110.436 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.05 77.83 66.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.19 -20.39 32.86 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 117.28 -1.347 . . . . 25.0 114.377 -176.347 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -69.2 -38.39 78.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.71 -28.64 6.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.838 178.63 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -60.38 -40.69 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.214 0.53 . . . . 25.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.02 -27.97 69.48 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.537 -0.727 . . . . 25.0 110.932 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 -30.43 35.7 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 122.123 -0.361 . . . . 25.0 110.529 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.2 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 175.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.632 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.73 -37.26 85.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' HG13 ' A' ' 51' ' ' ILE . 29.0 m -62.28 -40.87 97.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.493 -0.928 . . . . 25.0 108.493 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -63.41 -43.1 98.48 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.323 -0.551 . . . . 25.0 111.426 176.123 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.67 -43.36 97.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.348 0.594 . . . . 25.0 110.696 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.79 -43.59 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.79 -0.641 . . . . 25.0 109.494 -178.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.48 -41.64 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.02 -0.425 . . . . 25.0 111.809 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 mttt . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.268 0.47 . . . . 25.0 112.268 -179.554 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.287 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -65.3 -39.96 93.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.725 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.95 -42.83 89.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.343 0.592 . . . . 25.0 110.587 179.298 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 106' ' ' THR . 2.3 mp -57.72 -39.46 77.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 176.082 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -62.42 -21.21 65.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.984 1.105 . . . . 25.0 113.984 174.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -95.63 -19.68 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 -176.199 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -85.98 87.53 7.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.156 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -40.5 9.58 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.729 1.381 . . . . 25.0 114.729 -178.312 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.81 -35.91 77.71 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 178.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -76.27 -38.93 55.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.43 0.633 . . . . 25.0 109.512 176.528 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.45 -36.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.805 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.9 -42.73 76.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 178.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -70.24 -39.03 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.815 -0.553 . . . . 25.0 110.237 178.441 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.83 -23.67 62.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.956 0.724 . . . . 25.0 112.956 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.57 -35.5 76.23 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 176.042 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -78.21 -45.7 22.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.79 81.33 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -175.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.96 -39.82 91.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.37 -48.43 64.77 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 t -69.94 -23.68 63.23 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -173.391 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -23.49 48.28 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 175.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.67 15.97 76.6 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.646 -0.981 . . . . 25.0 110.646 -176.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.89 93.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 123.607 1.67 . . . . 25.0 108.254 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.3 84.34 5.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.01 -1.45 . . . . 25.0 110.251 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.49 162.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.025 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -69.9 140.44 53.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 175.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -48.54 78.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.67 77.56 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.618 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -72.31 -28.37 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -56.78 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.801 -0.76 . . . . 25.0 109.106 176.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.32 -22.99 55.17 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.53 -37.8 65.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.471 0.653 . . . . 25.0 110.165 174.354 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -77.24 -23.78 51.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -67.38 -28.25 67.78 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 173.321 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -26.13 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.296 0.57 . . . . 25.0 111.13 178.073 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.68 -40.37 88.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.364 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -33.48 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.765 -0.584 . . . . 25.0 110.582 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.57 71.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -53.47 11.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -177.159 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.52 -29.25 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.795 0.807 . . . . 25.0 112.096 -178.038 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.55 77.82 55.1 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.597 -0.728 . . . . 25.0 110.651 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.26 -16.17 35.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 CA-C-O 121.687 0.619 . . . . 25.0 111.959 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 -17.82 58.77 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.961 176.004 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -53.61 27.35 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 121.427 -0.796 . . . . 25.0 111.376 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.48 -20.5 27.21 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.438 -3.908 . . . . 25.0 113.624 175.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.45 -36.19 83.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.031 0.443 . . . . 25.0 110.409 177.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -76.0 -23.53 55.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.847 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.41 24.61 52.71 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 114.636 0.614 . . . . 25.0 114.636 177.183 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 m -128.32 126.89 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -175.316 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.5 mt -119.22 101.07 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.919 1.342 . . . . 25.0 110.046 -175.223 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -141.69 164.26 30.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.422 -2.436 . . . . 25.0 104.422 176.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.5 -28.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.237 -0.185 . . . . 25.0 111.378 -177.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.78 -32.24 73.67 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.442 -0.786 . . . . 25.0 109.956 175.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -78.89 -41.47 29.63 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -68.91 -32.01 71.33 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -177.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -63.11 -39.44 94.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.36 -0.837 . . . . 25.0 110.516 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -57.76 -27.82 63.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.62 -39.47 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.559 0.695 . . . . 25.0 109.417 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.03 -35.02 58.05 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.674 -0.971 . . . . 25.0 110.674 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.75 -39.7 92.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.62 -43.83 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.851 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -62.22 -39.06 91.54 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.92 -43.04 89.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 -177.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.47 -44.35 82.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.587 0.708 . . . . 25.0 111.236 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.14 -34.7 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.178 0.513 . . . . 25.0 109.987 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.58 -38.32 80.58 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.223 177.17 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -67.47 -33.39 75.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.51 . . . . 25.0 109.756 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.5 m -71.39 -45.97 61.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -178.261 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.55 6.38 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.737 2.495 . . . . 25.0 117.737 -172.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.8 -172.23 55.17 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.869 1.108 . . . . 25.0 115.869 175.356 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -69.82 -12.36 32.64 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.998 1.799 . . . . 25.0 114.071 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.13 -18.37 63.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.341 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -113.02 -38.55 4.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -178.048 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.0 t -122.38 130.94 24.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 173.001 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.23 154.15 24.87 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 114.91 -2.926 . . . . 25.0 111.572 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.9 -21.68 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.71 -0.619 . . . . 25.0 110.849 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.93 -17.79 60.51 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.67 -0.644 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.01 77.36 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 120.226 -0.59 . . . . 25.0 109.627 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -71.03 -30.43 66.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 25.0 111.44 178.179 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.7 t -73.32 -44.76 58.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.62 -43.79 98.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.58 175.664 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -58.68 -37.46 76.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.779 0.323 . . . . 25.0 111.68 -179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.85 -32.36 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.221 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.29 -47.08 77.9 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.408 0.623 . . . . 25.0 110.401 178.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.42 -29.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -59.83 -46.53 88.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.698 -0.626 . . . . 25.0 110.527 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.02 -30.76 68.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.345 0.975 . . . . 25.0 110.227 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.05 -46.57 90.17 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 120.48 0.181 . . . . 25.0 110.922 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.27 -39.9 19.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.944 -178.079 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.03 -34.8 73.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.161 -0.337 . . . . 25.0 110.34 -176.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -114.52 32.34 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 178.21 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.56 -20.07 65.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.381 0.61 . . . . 25.0 109.955 176.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -59.63 -28.39 67.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.093 1.145 . . . . 25.0 114.093 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 m -118.8 10.66 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.334 0.588 . . . . 25.0 110.893 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.99 86.07 58.4 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.191 -0.459 . . . . 25.0 109.993 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -66.47 -21.62 53.0 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 117.034 -1.511 . . . . 25.0 114.374 -177.014 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -59.91 -46.05 90.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.88 -32.58 7.61 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.541 0 CA-C-N 115.367 -0.833 . . . . 25.0 110.365 -174.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -39.78 90.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.387 0.54 . . . . 25.0 110.486 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.94 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.99 -0.444 . . . . 25.0 110.388 176.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.6 57.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.42 -48.92 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 177.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.59 98.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.97 -38.8 92.55 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.534 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 5' ' ' LEU . 33.0 m -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.133 -0.627 . . . . 25.0 109.332 -178.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.49 -47.88 82.64 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.066 -0.654 . . . . 25.0 110.744 178.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.8 -35.33 79.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -177.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.5 mt -66.87 -40.0 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.45 -37.46 85.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.943 -0.473 . . . . 25.0 110.705 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.5 mttt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.785 0.326 . . . . 25.0 111.214 177.908 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.099 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.29 -37.55 85.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.919 -0.754 . . . . 25.0 110.326 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.91 -40.33 96.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.897 -0.502 . . . . 25.0 110.495 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.82 -19.14 65.68 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 172.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -92.9 -21.02 20.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -177.022 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -88.22 89.74 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.14 -29.29 63.48 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -173.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.78 -45.85 81.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.489 0.661 . . . . 25.0 110.312 174.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -69.81 -43.03 72.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.83 -42.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 24.4 tt0 -61.29 -44.09 97.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -177.056 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -39.81 80.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 178.327 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.86 -23.47 67.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -177.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 49.7 mttm -51.34 -36.04 41.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 176.594 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -77.86 -41.64 36.17 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 25.0 111.775 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -31.51 72.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.986 0.422 . . . . 25.0 111.564 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.9 -35.62 78.91 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 174.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? -78.54 -36.33 44.87 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -66.26 -11.74 52.11 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -175.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.789 ' HE ' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.9 -20.86 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.074 -0.391 . . . . 25.0 110.795 174.503 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.95 13.41 82.6 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.055 -0.593 . . . . 25.0 113.952 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.74 154.91 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 84.34 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.174 0.511 . . . . 25.0 111.273 -176.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.75 154.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.409 0.623 . . . . 25.0 109.692 176.782 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -104.67 157.33 17.26 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.18 -44.54 94.98 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.979 -0.451 . . . . 25.0 110.255 173.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.26 68.44 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 120.743 0.306 . . . . 25.0 111.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -76.65 -54.63 6.4 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.109 -0.701 . . . . 25.0 109.109 177.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -49.19 74.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.325 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.38 -22.14 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.836 -0.54 . . . . 25.0 112.182 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.04 -35.34 73.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.316 -0.553 . . . . 25.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.41 -23.78 54.03 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.533 -0.73 . . . . 25.0 111.88 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -75.42 -26.98 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.763 -0.585 . . . . 25.0 110.336 170.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.76 -33.98 73.16 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 172.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.65 -30.92 70.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.684 -0.235 . . . . 25.0 110.963 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.65 -46.7 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.215 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -62.22 -41.55 98.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.746 -0.661 . . . . 25.0 109.89 -173.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.32 -49.71 68.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.879 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -78.08 -29.15 48.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.505 0.669 . . . . 25.0 112.18 -176.039 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.09 75.62 78.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 122.8 0.44 . . . . 25.0 111.355 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.06 -15.18 32.3 Favored 'Trans proline' 0 C--N 1.343 0.281 0 CA-C-O 121.54 0.558 . . . . 25.0 112.47 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.88 -15.76 52.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.101 176.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -64.99 -52.65 47.73 Favored Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 121.46 -0.775 . . . . 25.0 111.09 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -70.0 -21.17 32.74 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 113.496 -3.87 . . . . 25.0 113.619 177.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.79 -38.78 89.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.608 0.242 . . . . 25.0 111.279 178.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 55' ' ' ARG . 38.1 mt-10 -77.87 -15.2 59.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.194 -0.316 . . . . 25.0 110.744 178.233 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.48 23.02 40.81 Favored Glycine 0 C--O 1.225 -0.462 0 N-CA-C 117.383 1.713 . . . . 25.0 117.383 171.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 m -127.19 133.18 50.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.881 0.84 . . . . 25.0 109.87 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.98 107.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 122.261 1.029 . . . . 25.0 111.134 -173.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.2 162.08 40.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 176.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.72 -31.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -178.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -66.18 -29.48 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.588 -0.695 . . . . 25.0 109.561 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 48' ' ' GLU . 32.9 mtt-85 -85.09 -38.46 19.08 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 111.371 176.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -64.24 -30.5 71.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.878 0.371 . . . . 25.0 111.379 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 72.0 mtt180 -59.87 -43.12 94.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.13 -0.356 . . . . 25.0 110.952 177.36 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.95 -29.22 65.01 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 175.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.8 -38.08 80.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.82 -34.33 53.41 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.044 -0.822 . . . . 25.0 111.044 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.59 -39.37 93.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 176.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.44 95.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.554 178.033 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.27 -34.89 79.15 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.348 -0.541 . . . . 25.0 109.922 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -69.42 -37.59 77.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.803 0.335 . . . . 25.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.89 -47.42 74.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 25.0 109.632 178.043 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.76 -32.62 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.834 179.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.32 -42.76 78.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.184 177.132 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -66.08 -24.22 66.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -172.509 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 m -58.05 -41.21 82.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.356 -178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.22 -44.67 1.57 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.99 -163.86 24.79 Favored Glycine 0 C--O 1.24 0.508 0 N-CA-C 111.826 -0.51 . . . . 25.0 111.826 -174.763 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.93 -10.81 29.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.366 1.377 . . . . 25.0 114.33 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.64 -20.56 59.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.25 0.548 . . . . 25.0 110.121 176.428 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.74 -44.76 7.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.006 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.33 130.84 23.66 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 105.4 -2.074 . . . . 25.0 105.4 175.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.83 153.31 29.38 Favored 'Trans proline' 0 CA--C 1.514 -0.477 0 C-N-CA 114.889 -2.941 . . . . 25.0 112.334 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.59 -21.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.812 -0.555 . . . . 25.0 111.46 177.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -71.05 -21.8 62.21 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.473 -0.767 . . . . 25.0 110.797 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.06 82.58 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 119.775 -0.77 . . . . 25.0 109.543 177.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -74.67 -29.05 61.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.867 0.365 . . . . 25.0 110.848 177.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.5 t -70.7 -44.67 66.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.79 -42.64 97.69 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.726 -0.67 . . . . 25.0 109.797 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.411 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 82.4 t90 -58.99 -38.65 79.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.073 -0.392 . . . . 25.0 111.324 178.237 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -66.45 -28.72 68.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.368 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 ' HE ' ' A' ' 22' ' ' ARG . 37.0 tp -64.6 -47.92 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 121.198 0.523 . . . . 25.0 110.276 176.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.55 -29.59 27.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 120.943 -1.098 . . . . 25.0 108.563 -178.392 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -59.4 -51.34 70.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 176.438 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -69.44 -30.34 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.68 -43.77 79.39 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 112.465 0.543 . . . . 25.0 112.465 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.61 -39.3 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.05 -27.54 68.96 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.106 0.479 . . . . 25.0 110.558 -178.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -123.64 36.28 4.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.413 177.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.55 -16.75 64.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.164 0.507 . . . . 25.0 111.975 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.85 -32.75 74.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.614 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.61 8.51 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.758 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -123.83 80.63 56.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 177.676 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.51 -20.98 53.64 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 117.141 -1.439 . . . . 25.0 114.683 -174.512 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -65.22 -49.05 71.16 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.7 -30.47 29.11 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 118.776 -1.169 . . . . 25.0 110.308 -176.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -40.67 91.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.642 0.655 . . . . 25.0 110.218 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 25.0 110.381 176.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.68 48.58 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.52 -47.96 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 177.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.81 73.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.458 179.436 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.71 -37.41 86.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.045 0.758 . . . . 25.0 113.045 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 m -67.92 -39.08 83.61 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.4 -40.25 96.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.044 -0.662 . . . . 25.0 110.942 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.22 -45.71 92.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.123 0.487 . . . . 25.0 109.824 178.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.31 -40.39 82.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.832 -177.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.72 -38.44 91.14 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.015 -0.428 . . . . 25.0 110.984 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.936 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.293 0 N-CA-C 116.977 1.551 . . . . 25.0 116.977 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.31 -27.47 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.661 1.231 . . . . 25.0 113.325 -178.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.26 -31.11 60.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 177.104 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.99 -35.59 80.98 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.168 -0.333 . . . . 25.0 111.085 -176.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -18.17 57.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 173.317 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.47 -18.04 18.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 25.0 110.495 -178.295 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -82.03 92.47 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.114 -0.493 . . . . 25.0 110.69 -176.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.02 -39.01 65.75 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -173.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -56.25 -33.33 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -88.21 -40.3 13.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.51 . . . . 25.0 110.278 178.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.5 t -58.36 -32.47 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.767 176.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.96 -44.7 67.32 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.357 0.526 . . . . 25.0 111.356 175.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -72.24 -41.07 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.23 -24.81 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.74 -35.8 77.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 175.353 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -83.77 -40.5 18.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.454 176.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.78 78.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -175.309 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.28 -42.49 98.73 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.181 -1.415 . . . . 25.0 107.181 176.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -64.4 -43.91 92.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.749 -1.114 . . . . 25.0 112.068 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -20.02 61.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -175.107 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 173.526 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.09 19.7 78.61 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.186 -0.53 . . . . 25.0 111.91 -177.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 22' ' ' ARG . 11.9 p -102.04 119.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.391 1.091 . . . . 25.0 111.139 -174.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.38 84.41 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.653 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.07 153.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -69.91 133.59 47.49 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.789 -2.3 . . . . 25.0 104.789 176.203 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 -175.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.5 71.25 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.369 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.35 -40.78 64.15 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 110.209 -0.293 . . . . 25.0 110.209 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.1 -50.62 72.97 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.57 -30.6 71.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.584 -0.734 . . . . 25.0 112.736 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -63.65 -28.93 70.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.802 -0.561 . . . . 25.0 111.436 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.0 -24.14 59.54 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.107 -0.996 . . . . 25.0 112.039 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.29 -27.24 62.34 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.536 0.684 . . . . 25.0 109.703 169.612 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.32 -29.26 61.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.283 0.563 . . . . 25.0 109.592 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -67.76 -36.58 80.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.429 178.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -63.41 -23.51 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.909 0.385 . . . . 25.0 111.032 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.14 -35.68 79.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.04 -177.158 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.96 -39.2 66.38 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.692 0.758 . . . . 25.0 110.457 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -32.0 42.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.415 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -136.65 78.67 42.56 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.502 -0.772 . . . . 25.0 112.133 -175.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.87 -17.21 32.71 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 CA-C-O 121.7 0.625 . . . . 25.0 112.305 178.437 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -10.59 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.213 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -69.14 -53.01 14.55 Favored Pre-proline 0 CA--C 1.545 0.76 0 O-C-N 121.29 -0.881 . . . . 25.0 111.481 178.368 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.13 -20.96 37.1 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 114.486 -3.209 . . . . 25.0 113.544 176.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -62.59 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.95 0.405 . . . . 25.0 110.177 177.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -73.81 -38.06 64.69 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 25.0 110.078 176.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.95 32.85 67.15 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 116.302 -0.408 . . . . 25.0 112.203 -178.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -120.14 121.37 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 -178.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.1 103.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 123.167 1.461 . . . . 25.0 110.972 -171.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -143.82 167.55 22.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 103.585 -2.746 . . . . 25.0 103.585 175.152 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.17 -26.69 38.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.069 0.395 . . . . 25.0 111.311 -178.208 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -67.23 -33.44 75.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.564 -0.71 . . . . 25.0 109.556 175.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -81.57 -25.07 36.12 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.704 0.402 . . . . 25.0 110.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -86.22 -26.82 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.843 0.457 . . . . 25.0 111.819 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -56.75 -48.78 77.05 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -57.68 -23.11 49.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.96 -35.29 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.253 -1.017 . . . . 25.0 108.253 -175.157 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.23 -36.48 55.86 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.505 -1.038 . . . . 25.0 110.505 178.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.96 -38.46 91.17 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -41.37 96.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 25.0 111.587 176.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.46 -36.61 83.01 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.241 -0.652 . . . . 25.0 109.241 178.168 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -67.03 -39.59 87.02 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.989 0.18 . . . . 25.0 110.846 -177.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.75 -32.85 60.14 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.797 -0.761 . . . . 25.0 111.193 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.24 -37.6 87.76 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -67.68 -36.05 79.98 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.559 176.174 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.38 -34.5 78.3 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.817 -0.552 . . . . 25.0 109.799 177.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -77.28 -43.73 32.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -123.61 4.72 8.92 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 -173.282 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.62 -171.88 51.31 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 115.954 1.142 . . . . 25.0 115.954 176.062 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.11 -9.65 23.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.518 2.146 . . . . 25.0 115.619 -176.588 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.14 -26.86 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.984 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -94.82 -39.8 10.07 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.96 -0.296 . . . . 25.0 111.09 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.63 130.92 24.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 174.811 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.18 154.6 14.5 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.97 177.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.07 -20.8 27.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 121.689 -0.632 . . . . 25.0 110.652 176.2 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -74.33 -17.35 60.85 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.695 -0.628 . . . . 25.0 111.409 177.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.48 84.01 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.062 -0.655 . . . . 25.0 109.46 178.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.64 -30.12 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.166 0.508 . . . . 25.0 110.789 178.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -74.32 -45.09 49.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m-85 -60.41 -48.04 83.49 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 175.473 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -55.29 -38.95 69.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -67.68 -35.91 79.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.03 -177.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.68 -35.74 81.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.939 -178.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 82' ' ' TYR . 3.3 mp -83.83 -27.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 176.583 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -42.53 93.63 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.513 -0.742 . . . . 25.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.794 0.725 . . . . 25.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.08 -40.74 91.07 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.469 -0.145 . . . . 25.0 111.058 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.24 -40.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.163 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.52 -32.48 71.5 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.084 -0.385 . . . . 25.0 110.16 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -112.05 28.97 8.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -67.81 -18.98 65.02 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.345 0.593 . . . . 25.0 109.599 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.28 -32.14 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.929 176.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.53 7.46 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.586 0.708 . . . . 25.0 110.396 -178.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -124.88 82.62 60.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.75 -17.62 42.23 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.671 -1.086 . . . . 25.0 113.828 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -65.34 -43.22 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.71 -28.94 6.75 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.53 179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -60.39 -36.99 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 118.515 0.598 . . . . 25.0 109.937 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.2 71.32 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.062 -0.399 . . . . 25.0 111.244 176.119 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.88 42.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 178.122 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.87 -51.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.38 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.64 98.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 25.0 110.177 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -62.18 -39.23 92.01 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.171 -0.612 . . . . 25.0 111.324 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -66.71 -36.47 82.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.529 -0.732 . . . . 25.0 109.628 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -62.1 -41.91 98.68 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.03 -0.419 . . . . 25.0 110.419 175.436 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -65.61 -45.84 81.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.281 0.563 . . . . 25.0 110.996 177.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 mt -64.3 -39.04 84.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 CA-C-N 116.048 -0.524 . . . . 25.0 111.649 -175.425 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -37.34 86.01 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.551 -178.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.451 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 31.0 mmtp . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 114.635 1.346 . . . . 25.0 114.635 176.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.17 0 N-CA-C 113.622 0.209 . . . . 25.0 113.622 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.16 -39.72 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 177.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -75.55 -38.29 59.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.622 -177.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 2.0 mm? -65.94 -38.19 87.98 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.818 -0.551 . . . . 25.0 111.25 176.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -68.77 -15.54 63.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 174.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -93.63 -21.32 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.42 0.628 . . . . 25.0 109.605 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.5 88.38 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 25.0 111.097 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -44.88 -43.76 9.1 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.307 1.595 . . . . 25.0 115.307 -175.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -42.46 99.39 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.736 -0.603 . . . . 25.0 110.583 -177.196 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.27 -44.27 75.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.312 177.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.83 -41.97 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.926 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.467 -0.771 . . . . 25.0 112.707 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -41.29 55.61 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.548 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.0 -23.5 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -52.28 -36.72 53.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.84 -50.57 12.02 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.678 176.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.7 98.98 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.859 1.429 . . . . 25.0 114.859 -176.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 178.152 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -68.73 -39.74 80.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 25.0 112.272 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -23.64 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.081 0.467 . . . . 25.0 112.016 -175.472 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.75 -16.88 58.11 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.905 -0.497 . . . . 25.0 111.392 176.627 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.69 1.19 61.19 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.956 -0.457 . . . . 25.0 111.956 -176.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -72.88 125.08 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.139 0.971 . . . . 25.0 109.493 -175.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -92.06 84.43 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.665 -176.021 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 m -133.27 157.48 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.483 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -83.57 144.02 29.76 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 104.83 -2.285 . . . . 25.0 104.83 176.022 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -49.74 65.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.65 70.09 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.782 -179.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.56 -36.31 44.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 25.0 110.408 -179.376 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.79 -53.81 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.434 0.635 . . . . 25.0 109.296 178.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.48 -19.93 65.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.087 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 2.3 pttt -61.41 -29.95 70.26 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.267 -0.895 . . . . 25.0 109.943 175.124 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 61.4 m-85 -80.24 -23.91 40.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.934 -0.479 . . . . 25.0 111.629 176.738 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.54 -31.91 70.39 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 171.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.07 -28.09 60.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.604 -0.685 . . . . 25.0 110.828 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -68.28 -27.96 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 25.0 110.325 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.44 -47.16 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 173.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -59.79 -45.0 93.67 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.811 -172.206 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -70.73 -26.95 63.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -97.24 -27.42 14.53 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.701 0.762 . . . . 25.0 111.921 -178.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.8 m -128.82 80.35 72.87 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 123.266 0.626 . . . . 25.0 110.779 -177.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.61 -17.22 33.88 Favored 'Trans proline' 0 C--N 1.343 0.258 0 CA-C-O 121.567 0.57 . . . . 25.0 111.984 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -12.31 60.01 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.242 176.171 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.18 -50.87 14.89 Favored Pre-proline 0 CA--C 1.542 0.653 0 O-C-N 121.081 -1.012 . . . . 25.0 112.511 -178.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.7 -20.6 40.04 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.449 -3.901 . . . . 25.0 112.96 175.008 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.59 -36.84 83.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.627 0.251 . . . . 25.0 110.79 176.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.8 -33.29 68.42 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.48 -10.34 1.03 Allowed Glycine 0 C--O 1.218 -0.848 0 N-CA-C 117.713 1.845 . . . . 25.0 117.713 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.0 m -99.51 137.13 38.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.208 0.504 . . . . 25.0 110.135 -174.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mm -106.29 113.2 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.62 1.2 . . . . 25.0 109.863 179.169 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.49 157.66 38.71 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 175.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.62 -32.05 56.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.289 -0.414 . . . . 25.0 111.056 -176.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -68.2 -30.11 69.12 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.565 -0.454 . . . . 25.0 111.427 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -82.93 -33.91 26.66 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -62.3 -27.28 68.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.413 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -54.54 -46.81 73.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.316 -0.253 . . . . 25.0 110.316 175.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -54.97 -31.93 61.16 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -177.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -70.67 -40.75 77.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.286 0.565 . . . . 25.0 109.974 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.38 61.19 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -62.36 -41.38 98.56 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -42.83 99.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.698 178.752 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -64.17 -38.55 91.46 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -67.41 -43.03 82.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.86 -0.155 . . . . 25.0 111.372 -177.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -59.9 -47.57 85.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.15 -37.89 84.56 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.063 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.92 -40.29 96.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -34.74 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.631 -0.668 . . . . 25.0 110.287 -178.662 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 m -69.38 -43.25 73.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.507 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 8.84 6.66 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 117.9 2.555 . . . . 25.0 117.9 -170.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.22 174.55 49.88 Favored Glycine 0 C--O 1.246 0.849 0 N-CA-C 117.674 1.83 . . . . 25.0 117.674 173.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.79 -14.54 39.23 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.733 2.289 . . . . 25.0 114.77 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -74.45 -15.78 60.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.109 -0.369 . . . . 25.0 110.441 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -99.44 -44.0 6.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.94 130.86 24.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 174.197 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.24 153.43 24.46 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.832 -2.979 . . . . 25.0 111.729 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.88 -21.12 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.899 -0.501 . . . . 25.0 110.584 176.242 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.78 -19.35 61.37 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.626 -0.671 . . . . 25.0 111.34 177.57 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.79 85.05 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.97 -32.53 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.131 0.491 . . . . 25.0 110.736 177.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -68.29 -45.27 73.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.88 -43.81 97.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.796 175.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -58.09 -39.62 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.351 . . . . 25.0 111.239 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.633 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.68 -41.26 83.95 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 121.442 0.639 . . . . 25.0 110.272 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.25 -29.88 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 178.521 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.13 -47.04 86.73 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.946 -0.471 . . . . 25.0 110.079 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.95 -29.27 65.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.827 0.74 . . . . 25.0 110.314 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.11 -40.57 90.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.725 177.454 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.0 mt -78.32 -43.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.294 -0.563 . . . . 25.0 109.872 178.159 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.78 -31.64 70.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 25.0 111.483 -175.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -117.03 33.87 5.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.53 -0.305 . . . . 25.0 111.171 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -64.71 -22.87 67.08 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.247 0.546 . . . . 25.0 109.858 176.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 4.4 pt-20 -60.66 -35.86 77.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.73 7.19 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.7 0.762 . . . . 25.0 109.527 -178.32 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -125.23 77.9 67.47 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.042 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.0 -16.95 54.42 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 117.26 -1.36 . . . . 25.0 112.682 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.53 -44.58 90.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.84 -25.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 120.596 -0.442 . . . . 25.0 111.845 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.04 -36.3 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.103 -0.373 . . . . 25.0 110.539 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.81 77.48 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.475 -0.765 . . . . 25.0 111.212 177.525 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -31.98 65.11 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.184 -0.323 . . . . 25.0 110.466 178.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.43 -51.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.041 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.17 92.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.286 0.565 . . . . 25.0 111.567 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.98 -41.29 97.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.039 -0.413 . . . . 25.0 110.806 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -61.9 -42.42 99.06 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.69 -50.35 68.48 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -77.23 -30.64 54.68 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.36 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 5' ' ' LEU . 63.7 mt -65.27 -38.31 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.2 -23.79 65.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.157 0.503 . . . . 25.0 110.025 178.942 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.325 0 N-CA-C 112.12 -0.392 . . . . 25.0 112.12 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -56.69 -39.71 74.3 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 122.234 0.213 . . . . 25.0 110.443 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -85.79 -39.95 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.059 0.457 . . . . 25.0 111.692 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.72 -45.75 85.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.468 -176.281 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -57.4 -29.91 64.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 172.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -87.69 -19.27 27.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.331 0.586 . . . . 25.0 110.493 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -82.8 84.8 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -178.259 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.84 -33.39 56.13 Favored 'General case' 0 C--O 1.208 -1.113 0 N-CA-C 114.373 1.249 . . . . 25.0 114.373 -173.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -62.76 -36.84 84.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.609 1.095 . . . . 25.0 112.361 176.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -70.99 -46.24 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 176.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.38 -39.34 60.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 CA-C-N 115.813 -0.631 . . . . 25.0 110.939 177.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 62.5 tt0 -56.72 -44.79 81.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.452 0.701 . . . . 25.0 111.917 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -37.05 65.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.42 -23.52 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 59.7 mttm -56.04 -39.23 71.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.875 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -76.84 -43.86 34.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.257 -0.428 . . . . 25.0 110.744 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.35 87.33 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.426 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 176.053 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -71.13 -40.8 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -178.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -68.65 -25.52 64.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.398 0.544 . . . . 25.0 112.327 -177.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -73.09 -21.55 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.607 . . . . 25.0 109.422 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.99 11.29 85.53 Favored Glycine 0 N--CA 1.458 0.102 0 CA-C-N 116.369 -0.378 . . . . 25.0 114.041 174.23 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -96.88 118.22 42.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -176.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -79.25 84.51 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.378 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.71 155.98 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 175.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -75.7 138.78 41.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 25.0 109.21 -178.421 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -49.88 71.34 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.724 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.74 75.36 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.19 0.519 . . . . 25.0 109.987 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -75.97 -33.88 59.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -175.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -48.44 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.721 0.772 . . . . 25.0 109.016 176.865 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.97 -27.37 65.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.798 1.036 . . . . 25.0 113.798 175.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.07 -39.55 92.78 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.338 -0.545 . . . . 25.0 109.787 176.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.46 -23.75 53.86 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.809 -0.557 . . . . 25.0 111.579 178.463 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -64.6 -23.26 67.21 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 171.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.78 -35.2 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.775 -0.578 . . . . 25.0 111.085 176.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.65 -33.3 74.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.604 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -39.3 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 121.63 -0.669 . . . . 25.0 109.338 176.661 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -38.99 92.73 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.514 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -64.22 -38.43 91.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.923 0.392 . . . . 25.0 111.758 -179.087 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -87.38 -29.0 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.382 0.611 . . . . 25.0 111.728 -176.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -123.5 80.9 53.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.236 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -70.6 -16.86 34.07 Favored 'Trans proline' 0 C--N 1.344 0.293 0 CA-C-O 121.601 0.584 . . . . 25.0 112.626 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -16.88 52.99 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.251 177.055 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.43 -50.08 15.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.05 -20.22 38.48 Favored 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 113.034 -4.177 . . . . 25.0 112.677 176.315 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -31.8 73.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.569 0.348 . . . . 25.0 111.709 177.404 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.85 -21.73 60.89 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.295 -0.253 . . . . 25.0 110.658 178.453 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 24.68 53.93 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 113.996 0.359 . . . . 25.0 113.996 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -128.23 124.86 37.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.851 0.325 . . . . 25.0 110.236 -174.723 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.7 mm -110.44 112.01 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-O 123.064 1.412 . . . . 25.0 109.654 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -156.66 162.54 39.83 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 175.394 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.52 -29.15 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 116.554 -0.294 . . . . 25.0 110.45 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -65.01 -34.43 78.41 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.072 -0.393 . . . . 25.0 110.179 179.023 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -37.83 54.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.097 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.04 -25.7 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -55.82 -47.02 77.93 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.244 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -54.21 -33.77 59.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.808 -178.277 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.13 -39.92 82.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 25.0 110.013 -176.744 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.1 -37.19 60.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.35 -42.23 98.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -45.11 92.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.377 -0.829 . . . . 25.0 112.021 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.38 -40.53 96.77 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.107 -0.637 . . . . 25.0 109.368 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -66.75 -43.84 83.04 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.187 -175.627 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -66.42 -43.18 86.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.861 0.838 . . . . 25.0 110.986 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.66 -36.57 84.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.596 -0.729 . . . . 25.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -68.59 -38.77 80.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.574 -0.284 . . . . 25.0 110.781 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.84 -36.12 83.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.088 0.471 . . . . 25.0 110.007 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -82.58 -41.88 18.98 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -175.452 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -115.14 0.14 13.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.4 1.63 . . . . 25.0 115.4 -172.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.41 -177.34 51.2 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 116.718 1.447 . . . . 25.0 116.718 174.696 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.4 -15.94 34.77 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.112 1.875 . . . . 25.0 114.452 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.81 -20.18 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.15 0.5 . . . . 25.0 110.49 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -105.71 -36.45 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.46 130.82 23.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 173.263 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.83 153.38 22.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 114.831 -2.979 . . . . 25.0 112.1 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.35 -21.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.866 -0.521 . . . . 25.0 110.766 176.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -74.61 -17.68 60.67 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.725 -0.609 . . . . 25.0 111.207 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.8 -35.7 78.97 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.349 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.44 -33.14 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.173 0.511 . . . . 25.0 111.18 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.7 t -69.68 -44.69 69.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.67 -43.86 97.73 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.761 176.289 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.86 -37.43 73.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.852 0.358 . . . . 25.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -68.28 -34.84 76.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.411 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -62.56 -40.25 96.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.471 0.653 . . . . 25.0 110.435 178.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.06 -29.9 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.508 -0.745 . . . . 25.0 109.154 178.704 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -59.81 -45.74 91.42 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.494 -0.754 . . . . 25.0 109.839 178.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.11 -29.31 67.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.526 -0.734 . . . . 25.0 110.149 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.66 -45.62 74.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.44 -35.9 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.87 -39.06 93.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -110.87 38.77 2.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -68.29 -17.66 64.33 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.799 -0.637 . . . . 25.0 109.442 171.682 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.0 -30.02 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.048 177.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.52 9.07 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.438 0.637 . . . . 25.0 110.667 -178.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.25 84.45 59.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.47 -18.74 54.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 117.585 -1.143 . . . . 25.0 113.968 -176.677 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -64.84 -54.56 29.13 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 176.73 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -71.85 -27.15 26.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 C-N-CA 118.973 -1.091 . . . . 25.0 110.597 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -62.71 -36.66 83.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.755 -0.591 . . . . 25.0 109.854 176.716 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.19 70.45 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.688 -0.633 . . . . 25.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.36 43.46 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 99' ' ' VAL . 41.3 t -61.19 -48.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 177.441 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.51 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.773 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.64 -37.04 84.79 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -41.91 99.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -61.33 -42.79 99.25 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.741 175.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.81 -43.89 97.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.253 0.549 . . . . 25.0 110.42 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.65 -40.34 83.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.968 -178.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.05 -37.88 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.117 -0.364 . . . . 25.0 111.017 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.826 0.346 . . . . 25.0 111.033 179.313 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.313 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.34 -42.37 99.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.524 -0.398 . . . . 25.0 111.324 179.199 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -30.03 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.905 -0.718 . . . . 25.0 110.393 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.84 -39.05 93.16 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.035 -0.415 . . . . 25.0 110.871 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -67.25 -15.54 63.76 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 175.003 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.07 -13.94 15.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.235 0.541 . . . . 25.0 110.615 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -80.06 85.15 5.68 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.05 -31.28 29.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -169.809 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.235 -0.916 . . . . 25.0 113.294 176.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.53 -39.97 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 177.033 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.6 -36.81 43.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.597 174.279 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.94 -49.03 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.243 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -70.6 -39.6 73.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.813 0.816 . . . . 25.0 110.36 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -23.6 66.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -178.067 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -55.59 -38.07 68.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.51 -39.47 27.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.845 -0.616 . . . . 25.0 110.283 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.14 96.39 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.99 -40.44 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -73.6 -44.07 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -176.044 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -65.52 -14.64 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.31 59.18 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.122 -0.361 . . . . 25.0 111.119 177.065 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.18 21.88 78.45 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.025 -0.607 . . . . 25.0 112.112 -177.565 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -119.34 139.07 47.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.478 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -76.92 84.86 3.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.77 147.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -104.7 165.09 11.3 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.33 -48.42 76.79 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 178.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.82 66.37 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.495 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.04 -39.16 17.1 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.944 179.141 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -74.23 -50.61 18.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.27 -19.98 65.97 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.298 -0.251 . . . . 25.0 111.361 -176.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -52.28 -41.44 62.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.168 0.509 . . . . 25.0 109.934 171.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -78.46 -23.94 46.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -70.59 -30.8 67.58 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 173.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 -29.27 45.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 121.141 0.496 . . . . 25.0 110.244 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.43 -35.07 78.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.316 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -65.62 -26.65 39.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 C-N-CA 120.493 -0.483 . . . . 25.0 110.543 178.607 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -66.14 -35.62 80.97 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 -175.593 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.68 -53.22 9.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 25.0 111.483 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -28.55 63.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.575 0.702 . . . . 25.0 112.751 -176.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -127.71 78.3 75.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.656 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.97 -14.83 32.49 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.688 0.62 . . . . 25.0 112.162 -178.272 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -14.59 50.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.907 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.98 -50.13 82.25 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 121.473 -0.767 . . . . 25.0 112.482 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.52 -23.24 27.56 Favored 'Trans proline' 0 C--N 1.356 0.97 1 C-N-CA 112.611 -4.459 . . . . 25.0 113.77 177.238 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.25 -27.88 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.59 0.218 . . . . 25.0 111.59 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.77 -20.83 65.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 176.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.41 46.36 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 116.271 1.268 . . . . 25.0 116.271 173.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.509 ' HB ' HH11 ' A' ' 55' ' ' ARG . 39.8 m -137.45 139.39 40.59 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 -172.381 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.91 118.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.164 0.983 . . . . 25.0 109.418 177.354 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -154.85 162.87 40.96 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -68.84 -30.15 45.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.415 179.451 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.4 -28.78 66.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.269 -0.894 . . . . 25.0 109.312 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.509 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.9 ttm180 -78.33 -43.32 28.13 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 177.798 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -68.5 -34.17 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 55.2 mtt180 -59.8 -42.78 94.19 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.998 -0.439 . . . . 25.0 110.662 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -57.19 -29.47 63.73 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -39.74 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.539 0.685 . . . . 25.0 109.178 178.703 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.33 54.3 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.484 -0.865 . . . . 25.0 111.313 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.33 -38.98 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.279 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.63 -45.66 89.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -36.79 80.95 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 179.418 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.42 -40.01 81.37 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.056 -177.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -72.26 -36.68 69.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.733 0.778 . . . . 25.0 110.85 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.08 -37.57 87.91 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 175.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -68.86 -36.66 78.4 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.877 176.191 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.86 -34.08 77.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.622 -0.674 . . . . 25.0 109.777 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -71.24 -42.38 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.103 0.779 . . . . 25.0 113.103 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.31 0.26 6.36 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 117.14 2.274 . . . . 25.0 117.14 -172.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 -165.44 53.8 Favored Glycine 0 C--O 1.244 0.775 0 C-N-CA 120.806 -0.711 . . . . 25.0 113.35 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.76 -7.96 22.54 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.14 1.227 . . . . 25.0 114.397 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.91 -7.85 54.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -118.99 -45.46 2.57 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.75 130.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.834 -1.913 . . . . 25.0 105.834 175.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.04 154.02 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 114.969 -2.887 . . . . 25.0 111.477 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -21.24 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.854 -0.529 . . . . 25.0 110.883 177.31 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.21 -20.33 60.23 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.772 -0.58 . . . . 25.0 111.262 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.74 80.32 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.729 -0.607 . . . . 25.0 109.685 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.12 -30.92 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 25.0 111.549 178.781 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -73.46 -45.08 56.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.95 -40.26 97.15 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.785 176.511 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.4 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 85.5 t90 -64.01 -40.21 95.83 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.194 0.521 . . . . 25.0 110.984 -179.388 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.31 -26.41 68.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.03 -49.6 75.37 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.57 -30.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.415 0.626 . . . . 25.0 109.854 -178.805 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.8 -50.47 66.06 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.068 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.15 -23.1 61.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.232 -0.587 . . . . 25.0 111.334 -177.163 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.06 -39.96 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.486 178.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.9 mt -77.37 -38.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.78 -26.08 67.0 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.872 0.367 . . . . 25.0 110.584 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -122.54 31.78 5.99 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -56.83 -30.54 63.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.086 0.772 . . . . 25.0 113.086 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 94' ' ' GLU . 2.4 pm0 -68.09 -24.31 65.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -173.794 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.62 10.95 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.16 78.21 75.74 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 121.45 0.643 . . . . 25.0 110.545 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.51 -21.16 40.5 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.413 1.274 . . . . 25.0 115.413 -173.169 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -65.14 -37.84 88.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.93 -27.53 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.009 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.198 0.523 . . . . 25.0 111.437 -175.508 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -26.28 66.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.881 -0.512 . . . . 25.0 110.41 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.32 -30.11 38.14 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 110.094 -0.335 . . . . 25.0 110.094 178.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.51 -48.86 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 176.169 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.59 86.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.324 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.65 -36.85 84.15 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.394 -0.522 . . . . 25.0 111.907 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.1 m -63.52 -43.27 97.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -60.75 -38.75 86.25 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.44 -0.504 . . . . 25.0 112.315 175.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -63.17 -48.27 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.699 0.761 . . . . 25.0 110.2 177.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.8 -36.98 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.546 -176.464 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.99 -25.46 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 -178.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 25.0 111.218 176.3 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.46 0 N-CA-C 110.309 -1.117 . . . . 25.0 110.309 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.13 -35.4 80.63 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.553 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.91 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.117 0.485 . . . . 25.0 110.964 -179.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.99 -37.51 87.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.779 -0.576 . . . . 25.0 111.669 178.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.01 -15.66 62.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 173.639 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -94.66 -21.73 18.6 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.551 0.691 . . . . 25.0 110.37 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -84.26 88.73 7.25 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -50.16 -35.75 27.44 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 114.761 1.393 . . . . 25.0 114.761 -176.179 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -61.2 -38.82 87.92 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.574 -0.703 . . . . 25.0 111.37 177.207 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -70.42 -40.74 73.67 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 174.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.76 -39.38 79.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -57.37 -45.7 84.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.748 0.704 . . . . 25.0 111.023 178.242 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -68.18 -44.9 74.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.847 0.832 . . . . 25.0 111.13 177.091 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.75 -26.07 64.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -174.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -55.29 -45.21 76.21 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.119 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -76.57 -38.72 54.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.33 93.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -178.045 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -41.58 97.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.039 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -72.01 -38.67 69.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 t -70.77 -13.82 62.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.107 0.48 . . . . 25.0 111.645 -176.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -13.53 61.96 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.856 -0.528 . . . . 25.0 110.66 174.502 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.32 79.54 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.13 156.37 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -175.156 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -115.9 84.39 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.47 136.8 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.88 133.95 48.96 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 107.353 -1.351 . . . . 25.0 107.353 178.235 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -48.69 38.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -178.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.05 80.66 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.85 -34.68 66.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.595 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.35 -54.25 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.185 0.517 . . . . 25.0 110.303 178.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.01 -23.02 66.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -62.07 -38.06 87.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -77.82 -23.8 48.93 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.683 -0.636 . . . . 25.0 112.145 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.34 -33.16 75.31 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 171.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -25.38 53.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.969 -0.457 . . . . 25.0 111.529 178.617 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -66.57 -42.16 87.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.405 176.651 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.55 -34.72 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 177.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -41.75 96.55 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 111.357 0.132 . . . . 25.0 111.357 178.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -33.93 38.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.903 -0.719 . . . . 25.0 112.298 -177.305 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -74.09 -34.29 63.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.58 0.705 . . . . 25.0 110.017 179.098 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.87 80.51 49.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.079 178.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -70.26 -17.08 35.55 Favored 'Trans proline' 0 C--N 1.345 0.345 0 CA-C-O 121.606 0.586 . . . . 25.0 112.632 -178.321 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -14.57 58.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.857 176.315 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -68.71 -51.52 20.96 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 121.446 -0.784 . . . . 25.0 111.804 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -69.61 -22.83 32.19 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 113.764 -3.691 . . . . 25.0 113.703 175.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -63.74 -36.2 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.652 0.381 . . . . 25.0 111.443 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.54 -18.52 61.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.739 0.304 . . . . 25.0 111.277 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.16 58.29 Favored Glycine 0 C--O 1.218 -0.904 0 N-CA-C 114.678 0.631 . . . . 25.0 114.678 176.63 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -135.98 133.91 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.096 0.948 . . . . 25.0 110.321 -176.059 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 mm -115.09 114.59 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.579 1.18 . . . . 25.0 109.658 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -154.37 160.37 41.65 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.42 -1.263 . . . . 25.0 109.243 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.15 -31.68 54.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -67.32 -33.36 75.11 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -79.94 -36.97 35.48 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.636 -0.711 . . . . 25.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -63.73 -32.82 74.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.416 178.809 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -60.33 -43.14 96.69 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 119.449 -0.31 . . . . 25.0 111.391 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.16 -32.08 63.98 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 175.5 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.21 -40.15 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.357 0.599 . . . . 25.0 109.884 -178.785 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.62 55.75 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.848 -0.901 . . . . 25.0 110.848 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.03 -40.73 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.385 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -44.88 95.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 25.0 111.975 178.767 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.31 -38.2 82.93 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.601 -0.44 . . . . 25.0 109.998 177.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.78 -43.77 71.49 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.1 -0.24 . . . . 25.0 111.071 -177.01 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -62.32 -42.33 99.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.275 0.559 . . . . 25.0 109.941 178.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -39.62 91.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.038 0.446 . . . . 25.0 110.03 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -64.21 -38.95 92.87 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.563 -0.289 . . . . 25.0 110.385 177.347 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.26 -29.79 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.915 -0.49 . . . . 25.0 111.226 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -70.05 -42.28 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -177.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.33 -3.94 6.15 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 116.345 1.98 . . . . 25.0 116.345 -174.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.23 -170.9 45.49 Favored Glycine 0 C--O 1.243 0.658 0 C-N-CA 120.553 -0.832 . . . . 25.0 113.159 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.14 -7.75 22.05 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.744 1.629 . . . . 25.0 115.663 -175.422 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.08 -22.8 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.485 177.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.8 -38.11 9.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.673 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -127.16 130.98 23.65 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.364 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.95 152.73 24.96 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 115.759 -2.361 . . . . 25.0 111.654 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.68 -22.75 31.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 O-C-N 121.763 -0.586 . . . . 25.0 110.849 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -69.68 -19.49 63.59 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.871 -0.518 . . . . 25.0 111.204 177.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.72 69.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.941 178.324 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -81.58 -31.12 32.72 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -177.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.317 -1.31 . . . . 25.0 109.799 178.325 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.7 -43.95 91.84 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.494 176.218 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -55.49 -42.01 73.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 25.0 111.068 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -66.58 -28.0 68.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.821 0.675 . . . . 25.0 112.821 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.02 -41.25 82.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.485 0.659 . . . . 25.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.08 -30.95 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 178.13 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -56.59 -51.63 67.91 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -66.9 -26.96 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.644 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.31 -43.37 81.83 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.215 -0.303 . . . . 25.0 111.151 177.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.52 -39.1 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 178.524 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.89 -30.83 68.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.267 0.627 . . . . 25.0 110.832 -178.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.9 33.79 5.47 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.42 0.526 . . . . 25.0 112.42 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -62.98 -20.48 65.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.959 0.409 . . . . 25.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.02 -40.48 95.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.496 0.718 . . . . 25.0 112.411 -179.152 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.93 8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.424 0.631 . . . . 25.0 110.446 -177.596 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -129.02 80.43 72.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.169 179.424 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.2 -18.33 39.7 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.581 -1.146 . . . . 25.0 113.957 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.69 -42.28 95.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -84.74 -26.2 6.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 C-N-CA 119.264 -0.974 . . . . 25.0 109.899 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttp -63.44 -36.2 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -177.625 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.7 69.31 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.655 176.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -27.21 60.62 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.6 -47.84 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 175.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.64 79.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.45 -36.42 82.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.099 -0.24 . . . . 25.0 111.509 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -57.7 -44.2 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -62.07 -45.0 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.305 0.574 . . . . 25.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.14 -38.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.036 -177.06 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.264 -0.272 . . . . 25.0 110.381 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mttm . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.858 0.361 . . . . 25.0 110.927 178.158 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.177 0 N-CA-C 112.212 -0.355 . . . . 25.0 112.212 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.11 -33.57 74.7 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 120.599 0.238 . . . . 25.0 111.529 178.045 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.62 -38.12 73.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.33 0.586 . . . . 25.0 110.473 178.317 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.49 -34.5 76.02 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.652 -0.655 . . . . 25.0 111.039 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -78.82 -15.13 58.77 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.116 -0.365 . . . . 25.0 111.906 174.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -85.93 -30.26 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 177.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -76.28 92.42 3.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.795 179.123 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -48.28 -36.7 14.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.42 -35.0 73.18 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.673 0.749 . . . . 25.0 111.836 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.7 -36.26 23.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.357 -0.838 . . . . 25.0 109.781 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.37 -36.64 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.059 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -53.87 -45.2 70.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.372 0.606 . . . . 25.0 111.004 175.573 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.497 HE22 ' HB3' ' A' ' 101' ' ' ALA . 3.3 mt-30 -75.63 -40.12 56.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.757 179.068 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.03 -24.97 66.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.96 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 176.058 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.76 -41.69 18.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 176.556 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.33 75.97 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.214 1.19 . . . . 25.0 114.214 -177.144 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.45 -40.99 96.52 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.72 -40.6 79.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -178.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -71.81 -18.87 62.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.486 0.585 . . . . 25.0 111.56 -175.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HD3' HD21 ' A' ' 89' ' ' LEU . 23.6 mmm180 -73.54 -23.88 60.05 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 121.038 -0.265 . . . . 25.0 110.575 173.813 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.99 5.0 74.11 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 111.796 -0.522 . . . . 25.0 111.796 -176.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -84.84 124.87 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.74 -1.208 . . . . 25.0 107.74 -176.487 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -80.9 84.35 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.531 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.76 148.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 25.0 109.854 176.809 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -79.5 156.06 27.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -44.45 90.46 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.467 175.676 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -39.03 80.68 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.745 0.307 . . . . 25.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -68.79 -38.94 80.32 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 -176.492 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.08 -54.13 10.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.479 . . . . 25.0 110.842 -178.127 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.05 -20.03 66.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.016 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.69 -40.62 69.32 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.484 0.659 . . . . 25.0 109.975 173.293 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -74.64 -23.79 58.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.11 -0.369 . . . . 25.0 111.814 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.72 -31.17 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 173.547 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.14 -22.72 52.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.635 -0.665 . . . . 25.0 111.062 175.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -68.24 -33.8 75.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 174.467 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.36 -45.34 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 172.493 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -61.28 -36.64 80.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.351 -172.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -53.44 10.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -73.09 -26.38 61.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.559 0.695 . . . . 25.0 111.762 -177.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 59' ' ' VAL . 67.4 m -128.38 74.93 79.63 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -178.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.79 -16.83 37.61 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.192 -0.738 . . . . 25.0 111.74 177.782 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -9.43 59.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 112.678 176.32 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -73.18 -53.27 4.94 Favored Pre-proline 0 CA--C 1.543 0.701 0 O-C-N 121.3 -0.875 . . . . 25.0 111.032 177.026 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -69.51 -15.76 38.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 113.872 -3.619 . . . . 25.0 113.284 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -64.75 -38.67 91.78 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.457 0.17 . . . . 25.0 110.801 175.394 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.3 -34.95 73.36 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.513 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.53 31.1 62.87 Favored Glycine 0 C--O 1.23 -0.144 0 CA-C-N 115.302 -0.863 . . . . 25.0 113.093 178.176 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.8 m -128.26 130.22 47.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 -177.331 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -105.72 107.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 123.134 1.445 . . . . 25.0 109.702 -176.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -145.82 159.37 43.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.524 -2.028 . . . . 25.0 105.524 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.95 -28.43 41.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -67.47 -37.14 82.46 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.284 178.547 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -72.84 -37.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 176.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -64.48 -27.59 69.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -55.23 -51.51 66.35 Favored 'General case' 0 CA--C 1.483 -1.627 0 CA-C-O 121.245 0.545 . . . . 25.0 110.088 175.692 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -52.72 -30.4 32.17 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.427 -1.715 . . . . 25.0 112.391 -175.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.411 ' HA ' ' SG ' ' A' ' 42' ' ' CYS . 44.8 t -71.71 -44.26 69.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.28 0.562 . . . . 25.0 111.772 178.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.38 56.11 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.05 -37.65 88.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 178.026 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.25 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 25.0 111.336 176.155 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -64.16 -37.34 87.13 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -63.65 -46.52 85.23 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.071 0.232 . . . . 25.0 110.411 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.1 -35.36 71.79 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.1 -176.573 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.98 -37.9 85.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 176.616 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -65.42 -42.45 92.47 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.088 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -63.11 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.37 0.668 . . . . 25.0 111.54 -178.655 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 m -68.21 -40.81 82.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 25.0 112.003 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -126.98 -47.94 1.49 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 117.968 2.581 . . . . 25.0 117.968 -176.584 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.22 -174.16 22.63 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 121.37 -0.443 . . . . 25.0 113.738 -175.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.03 -12.24 30.2 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.312 2.674 . . . . 25.0 115.118 -177.375 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -81.75 -10.97 59.21 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.124 -0.36 . . . . 25.0 110.625 177.443 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -99.52 -43.68 6.43 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.397 -0.365 . . . . 25.0 111.649 175.676 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.45 131.03 24.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 173.344 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.533 ' HB2' HG22 ' A' ' 78' ' ' THR . 88.9 Cg_endo -81.24 152.6 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 115.375 -2.616 . . . . 25.0 113.089 -179.42 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -22.38 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 122.001 -0.437 . . . . 25.0 111.418 177.206 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 76' ' ' PRO . 8.6 t -69.88 -24.17 63.36 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.575 -0.703 . . . . 25.0 111.293 177.496 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.38 85.73 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.948 -0.701 . . . . 25.0 110.296 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -72.36 -33.38 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 25.0 110.025 177.605 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.1 t -66.92 -45.09 78.98 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.8 -40.7 92.15 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.26 -38.33 71.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -67.16 -35.21 79.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 25.0 112.086 -178.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.49 -43.62 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.929 0.395 . . . . 25.0 110.045 179.41 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.99 -30.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.88 -51.13 70.29 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.1 -29.71 69.54 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.408 -0.517 . . . . 25.0 111.003 -179.198 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.572 HD22 HG11 ' A' ' 99' ' ' VAL . 28.2 mt -66.5 -39.26 88.6 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 178.443 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.66 -41.08 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.49 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.25 -38.81 77.63 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.281 0.562 . . . . 25.0 110.369 -177.427 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -115.14 35.14 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.254 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.17 -21.64 66.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.54 0.686 . . . . 25.0 109.663 176.363 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.45 -29.12 69.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.97 8.62 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 121.5 0.666 . . . . 25.0 110.076 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -123.21 77.87 52.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.1 -18.15 45.66 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 117.941 -0.906 . . . . 25.0 114.414 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -63.88 -50.81 67.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 177.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.572 HG11 HD22 ' A' ' 89' ' ' LEU . 3.1 m -77.49 -25.18 14.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.166 -176.449 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.21 -36.79 73.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.263 0.483 . . . . 25.0 110.299 176.264 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.497 ' HB3' HE22 ' A' ' 14' ' ' GLN . . . -66.51 -31.95 72.99 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.142 -0.974 . . . . 25.0 110.416 175.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.5 60.53 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.64 -48.2 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 174.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.62 82.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.447 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -65.7 -34.35 77.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.5 m -64.73 -40.54 95.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.25 -42.86 99.35 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.401 -0.519 . . . . 25.0 110.802 175.002 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -58.59 -45.92 88.05 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.008 -0.432 . . . . 25.0 110.899 178.064 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.25 -38.86 78.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.684 -175.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.69 -40.57 79.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.1 mmtp . . . . . 0 C--O 1.215 -0.75 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 174.424 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.321 0 N-CA-C 114.904 0.722 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -62.66 -37.16 85.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.539 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.83 -39.57 63.95 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.271 0.557 . . . . 25.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.64 -41.78 95.6 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.651 -0.656 . . . . 25.0 110.969 176.447 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -69.74 -11.36 60.8 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.324 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -94.9 -20.5 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.609 0.719 . . . . 25.0 109.53 178.558 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -80.86 84.21 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.06 -31.23 40.5 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -172.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.83 -36.33 83.19 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.447 -0.783 . . . . 25.0 111.535 177.426 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -75.17 -43.39 52.58 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.81 -40.59 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.955 176.126 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -46.12 80.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.653 0.381 . . . . 25.0 111.858 -179.641 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -37.97 70.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.73 -23.46 67.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -50.87 -35.62 33.66 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 174.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -82.19 -46.85 13.21 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 116.714 -0.221 . . . . 25.0 111.023 176.264 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.97 90.94 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.399 1.259 . . . . 25.0 114.399 -175.7 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -37.55 87.9 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.66 -39.98 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 p -68.15 -16.26 63.92 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -16.58 62.05 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.047 -0.408 . . . . 25.0 110.207 175.152 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.08 23.72 77.56 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.799 175.628 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -126.68 147.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 25.0 111.958 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.03 84.86 6.39 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.86 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.32 134.22 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 178.464 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -87.39 163.27 16.86 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.35 -42.72 87.54 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.997 -0.439 . . . . 25.0 110.953 174.538 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.93 84.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.2 0.524 . . . . 25.0 109.987 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.67 -46.54 63.03 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -175.386 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.6 tp -67.75 -54.03 22.52 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.391 0.615 . . . . 25.0 112.318 -175.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.69 -19.97 65.87 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -59.01 -41.6 88.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 119.639 -0.824 . . . . 25.0 108.968 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -74.71 -25.71 59.32 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 120.383 -0.527 . . . . 25.0 112.204 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.64 -38.27 90.44 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.43 -34.36 75.85 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.96 0.41 . . . . 25.0 111.216 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.28 -37.11 86.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 25.0 112.339 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -66.05 -28.53 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.922 -0.711 . . . . 25.0 111.2 -178.909 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -64.44 -41.41 96.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.814 -0.754 . . . . 25.0 109.387 -175.364 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.38 -43.86 89.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.013 -0.994 . . . . 25.0 110.538 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -29.74 50.15 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.074 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 87.4 m -128.0 77.43 76.59 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.363 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.31 -18.81 29.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 CA-C-O 121.45 0.521 . . . . 25.0 112.405 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.81 -17.13 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.352 177.043 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.8 -53.14 15.99 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.371 -0.831 . . . . 25.0 111.338 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.18 -19.42 29.6 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.894 -3.604 . . . . 25.0 113.83 176.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.27 -40.2 93.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 25.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.86 -28.0 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.427 0.632 . . . . 25.0 109.783 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.67 0.39 8.4 Favored Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.018 1.167 . . . . 25.0 116.018 176.114 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 m -102.69 134.23 46.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -175.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.36 84.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 123.74 1.733 . . . . 25.0 109.476 -174.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.12 153.82 19.25 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 175.23 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' HE ' ' A' ' 57' ' ' ARG . 10.4 tp -67.38 -28.14 41.21 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 171.029 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.99 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.218 0.533 . . . . 25.0 110.368 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -77.94 -34.89 50.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -62.23 -28.84 69.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.258 176.258 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HE ' HG13 ' A' ' 53' ' ' ILE . 18.8 mmt85 -56.12 -47.24 78.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 175.73 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -67.35 -21.43 65.63 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.02 -39.2 79.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 175.537 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.37 60.61 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.004 -0.838 . . . . 25.0 111.004 178.179 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.8 -36.79 82.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -43.74 90.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.448 . . . . 25.0 111.142 179.295 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.87 -37.85 89.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.239 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -63.08 -45.32 92.68 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -179.114 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -70.99 -39.06 72.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.394 0.616 . . . . 25.0 111.821 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.18 -37.19 86.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.589 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.36 -38.93 78.33 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 121.222 0.534 . . . . 25.0 110.436 175.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.09 -35.7 80.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.212 0.53 . . . . 25.0 111.066 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -79.73 -41.28 27.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -177.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.49 2.52 10.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 -173.173 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 -174.57 54.95 Favored Glycine 0 C--O 1.242 0.645 0 N-CA-C 115.344 0.898 . . . . 25.0 115.344 178.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.64 -5.4 17.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.25 1.966 . . . . 25.0 115.114 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.73 -8.74 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.264 0.554 . . . . 25.0 111.889 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -115.78 -34.6 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.553 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.39 131.01 24.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 173.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' THR . 79.0 Cg_endo -84.75 157.51 11.98 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 117.198 -1.401 . . . . 25.0 112.592 175.817 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.33 -23.04 32.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 121.684 -0.635 . . . . 25.0 111.468 176.202 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 76' ' ' PRO . 9.7 t -71.38 -20.84 62.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.456 -0.777 . . . . 25.0 111.736 177.512 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -37.72 84.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.745 -0.782 . . . . 25.0 109.892 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.79 -32.24 69.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.527 0.679 . . . . 25.0 110.112 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.8 t -69.77 -43.87 71.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.861 -0.608 . . . . 25.0 109.537 -178.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.76 -38.44 83.45 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.089 176.49 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -59.21 -36.43 75.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.028 0.442 . . . . 25.0 110.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -35.31 80.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.871 -0.604 . . . . 25.0 110.866 179.472 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.91 -40.52 95.21 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.343 -0.389 . . . . 25.0 111.155 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.24 -30.35 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 121.283 -0.886 . . . . 25.0 109.019 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.29 -49.5 76.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.909 -0.494 . . . . 25.0 110.416 178.751 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.6 -31.59 72.71 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.87 -0.732 . . . . 25.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.63 -42.54 77.89 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.25 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.79 -40.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.754 -0.778 . . . . 25.0 109.392 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.39 -34.44 76.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.835 0.35 . . . . 25.0 110.546 -175.716 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -112.64 32.83 5.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.912 0.387 . . . . 25.0 111.561 178.245 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.8 -18.14 65.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.513 0.673 . . . . 25.0 109.499 176.13 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.37 -26.54 68.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.149 -0.932 . . . . 25.0 113.48 178.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.15 8.61 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.476 0.655 . . . . 25.0 110.059 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -126.12 83.76 62.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.336 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.26 -19.28 38.73 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 117.808 -0.995 . . . . 25.0 114.161 -175.097 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -64.86 -54.35 32.33 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 177.445 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -72.83 -28.07 26.37 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.881 -1.127 . . . . 25.0 110.697 -176.372 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -40.53 92.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.275 -0.89 . . . . 25.0 110.743 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.06 68.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.939 0.4 . . . . 25.0 110.517 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.98 49.38 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 99' ' ' VAL . 75.4 t -63.32 -48.64 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 178.726 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.67 96.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.245 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -63.36 -37.4 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -68.01 -37.69 81.74 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 -178.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.03 -45.3 91.06 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.568 0.622 . . . . 25.0 111.265 176.399 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.15 -40.3 95.5 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.558 0.694 . . . . 25.0 110.476 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.15 -41.5 87.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.04 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.73 -38.08 79.92 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.926 -0.484 . . . . 25.0 111.987 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.793 0.33 . . . . 25.0 111.292 179.626 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.337 0 N-CA-C 113.056 -0.018 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -64.64 -44.5 90.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.15 -36.21 79.29 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 120.841 0.353 . . . . 25.0 110.193 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.66 -36.07 75.7 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.775 -0.578 . . . . 25.0 110.688 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -66.57 -26.57 67.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.117 1.525 . . . . 25.0 115.117 170.73 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -85.69 -23.76 27.28 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.437 0.637 . . . . 25.0 110.551 179.585 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -80.87 82.01 6.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -174.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.08 -33.99 20.29 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 115.503 1.668 . . . . 25.0 115.503 -171.278 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.38 67.19 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.17 -0.956 . . . . 25.0 112.025 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -83.02 -37.43 23.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.475 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.31 -38.9 57.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 173.752 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -62.36 -39.35 92.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.936 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -64.53 -40.25 95.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 173.855 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 39.2 mt -70.1 -23.49 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.24 0.829 . . . . 25.0 113.24 178.816 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -80.14 -47.27 15.01 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.674 175.221 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.35 -43.8 98.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -174.572 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.45 -39.95 95.85 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 178.621 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -67.88 -40.49 83.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.66 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.484 HG21 HE21 ' A' ' 98' ' ' GLN . 20.3 p -69.81 -25.84 63.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -175.15 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -14.14 59.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 119.623 -0.831 . . . . 25.0 109.968 175.232 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 16.99 77.14 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 121.393 -0.432 . . . . 25.0 113.422 176.256 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.62 123.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.124 0.964 . . . . 25.0 109.63 -176.199 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -83.0 84.49 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.648 -0.705 . . . . 25.0 112.01 -176.578 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.6 m -122.11 156.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.27 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -79.07 147.51 32.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -47.84 79.94 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 122.411 -0.181 . . . . 25.0 111.424 177.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.03 74.03 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.397 -0.365 . . . . 25.0 110.778 179.433 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -71.39 -32.81 68.87 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.969 -0.382 . . . . 25.0 109.969 -178.75 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -54.03 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.061 -0.655 . . . . 25.0 110.874 178.838 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.17 -20.33 62.6 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 178.202 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -54.09 -38.56 65.49 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.999 -0.438 . . . . 25.0 110.079 171.772 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -79.59 -23.87 42.42 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.088 -0.382 . . . . 25.0 111.862 -179.554 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.1 -26.95 63.26 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 173.063 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.6 -31.22 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.592 0.71 . . . . 25.0 109.608 176.871 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.23 -28.15 66.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.522 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -64.79 -33.19 61.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 C-N-CA 119.4 -0.92 . . . . 25.0 108.835 176.539 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -67.78 -36.45 80.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.866 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.26 -32.55 72.36 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.638 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 m -97.23 -33.89 11.3 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.405 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -124.44 82.48 58.42 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -173.568 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.46 -12.78 29.88 Favored 'Trans proline' 0 C--N 1.344 0.31 0 CA-C-O 121.541 0.559 . . . . 25.0 111.609 177.089 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -9.85 53.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.725 177.793 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.39 -49.73 82.44 Favored Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 121.427 -0.795 . . . . 25.0 111.523 176.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -69.12 -19.73 38.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 114.076 -3.483 . . . . 25.0 114.309 176.338 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.85 -35.3 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.709 0.231 . . . . 25.0 110.934 178.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.53 -31.39 70.59 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.165 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.76 33.56 Favored Glycine 0 C--O 1.229 -0.188 0 N-CA-C 115.442 0.937 . . . . 25.0 115.442 174.642 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.8 m -127.63 127.39 43.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.49 98.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 123.145 1.45 . . . . 25.0 108.882 -174.456 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -138.95 164.44 29.7 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.987 -2.227 . . . . 25.0 104.987 179.375 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.09 -28.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 111.388 0.144 . . . . 25.0 111.388 -179.044 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -66.42 -35.61 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.699 -0.625 . . . . 25.0 110.33 177.119 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -78.27 -40.46 36.97 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 177.067 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -64.28 -31.87 73.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.692 0.282 . . . . 25.0 111.189 -179.645 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -61.2 -43.56 98.69 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 119.311 -0.376 . . . . 25.0 110.967 175.266 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -57.41 -33.36 67.79 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 111.664 0.246 . . . . 25.0 111.664 177.196 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.26 -41.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 25.0 110.263 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -36.8 61.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.568 -0.825 . . . . 25.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.74 -40.95 98.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -44.87 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.428 -0.805 . . . . 25.0 111.744 177.559 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -61.0 -34.01 74.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.689 -0.405 . . . . 25.0 110.386 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.51 -43.44 97.17 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.408 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.29 -36.13 66.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.607 0.718 . . . . 25.0 111.264 179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -35.95 78.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.874 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.02 -40.13 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.544 177.174 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.6 -39.36 93.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.08 -0.387 . . . . 25.0 111.713 -178.259 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 70' ' ' PHE . 2.1 t -85.88 -20.09 29.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -172.879 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.445 ' CD2' HG23 ' A' ' 69' ' ' THR . 53.8 m-85 -119.16 -11.55 9.59 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 -179.522 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.92 178.85 52.69 Favored Glycine 0 C--O 1.244 0.734 0 C-N-CA 120.884 -0.674 . . . . 25.0 114.014 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.5 -12.28 29.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.255 1.97 . . . . 25.0 115.407 -176.387 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -74.53 -30.51 61.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.221 0.534 . . . . 25.0 110.968 -178.68 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.04 -40.08 10.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.602 -178.873 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.09 130.8 24.5 Favored Pre-proline 0 C--O 1.22 -0.489 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 175.809 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.12 154.5 11.07 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 115.508 -2.528 . . . . 25.0 112.43 178.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.27 -20.49 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.688 -0.632 . . . . 25.0 110.519 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -73.6 -17.2 61.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.673 -0.642 . . . . 25.0 111.1 177.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.23 82.62 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.238 -0.585 . . . . 25.0 109.444 178.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.3 -31.2 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.207 0.527 . . . . 25.0 111.185 178.486 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -71.75 -43.82 65.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 178.422 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.23 -41.74 96.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.607 . . . . 25.0 110.039 176.727 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.03 -39.52 82.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.779 0.323 . . . . 25.0 110.503 178.82 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.51 -28.29 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.986 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.7 -40.8 84.3 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-O 120.976 0.417 . . . . 25.0 110.023 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.18 -31.03 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.181 -0.949 . . . . 25.0 109.402 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -56.09 -48.68 75.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.352 -0.385 . . . . 25.0 110.774 179.278 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.25 -30.86 70.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.776 -0.37 . . . . 25.0 110.423 -179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 99' ' ' VAL . 71.4 mt -70.58 -36.01 73.35 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.62 -42.93 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.34 -33.27 69.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.11 0.481 . . . . 25.0 110.998 -177.039 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 35.99 4.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.887 178.298 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -64.78 -20.12 66.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.413 0.625 . . . . 25.0 110.811 178.83 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.19 -30.28 69.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 25.0 113.304 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.4 10.33 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.561 0.696 . . . . 25.0 110.275 -179.275 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.36 78.09 61.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 178.608 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.62 -23.93 36.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 N-CA-C 115.527 1.318 . . . . 25.0 115.527 -173.582 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.484 HE21 HG21 ' A' ' 21' ' ' THR . 1.9 pm0 -67.22 -35.78 80.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.231 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 89' ' ' LEU . 1.8 m -84.91 -29.81 6.72 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 C-N-CA 120.118 -0.633 . . . . 25.0 110.943 177.168 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -61.21 -41.52 96.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.618 0.644 . . . . 25.0 110.179 -179.458 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.072 0.463 . . . . 25.0 110.434 176.755 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 -31.01 42.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.53 -49.64 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.561 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.9 96.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.42 -37.84 87.38 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.114 178.711 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m -67.57 -38.54 84.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.378 -0.827 . . . . 25.0 108.813 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -61.02 -39.63 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.043 -0.411 . . . . 25.0 110.574 176.294 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.91 -46.1 79.52 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.213 0.53 . . . . 25.0 111.617 177.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -34.79 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 -177.452 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.43 -37.54 87.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 177.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp . . . . . 0 N--CA 1.475 0.814 0 CA-C-N 118.21 0.459 . . . . 25.0 111.23 178.472 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 CA-C-O 120.198 -0.223 . . . . 25.0 113.414 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.494 0.647 . . . . 25.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.07 -31.37 62.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.21 0.529 . . . . 25.0 110.135 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.44 -36.69 83.19 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.73 -0.606 . . . . 25.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -26.43 66.29 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.489 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -78.23 -27.06 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.972 0.891 . . . . 25.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.15 75.48 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.841 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.13 -32.33 15.7 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -175.474 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -64.15 -30.45 71.51 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.419 -0.801 . . . . 25.0 112.07 178.404 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -86.05 -37.84 18.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.86 -33.22 34.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.905 175.253 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 4.3 tm-20 -50.8 -52.0 45.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 178.082 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.46 -28.76 67.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.764 -0.585 . . . . 25.0 111.147 178.84 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 35.1 mt -71.75 -23.59 61.63 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.698 -0.626 . . . . 25.0 111.966 175.737 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 52.8 mttm -60.92 -41.42 96.16 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 177.53 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.2 -46.65 40.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.388 -0.824 . . . . 25.0 111.123 176.085 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.69 -45.0 95.86 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -174.278 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.77 -40.84 97.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 178.742 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -66.76 -43.54 83.81 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 -178.632 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -69.36 -20.92 63.84 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.7 0.259 . . . . 25.0 111.7 -176.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.87 -20.23 62.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.789 0.328 . . . . 25.0 111.248 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.55 11.69 83.8 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 114.539 0.576 . . . . 25.0 114.539 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.97 131.49 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.627 0.727 . . . . 25.0 109.096 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.0 84.28 7.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.591 -175.822 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -101.01 135.2 38.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -65.74 135.78 55.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.06 65.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -176.044 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.36 86.72 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 120.798 0.332 . . . . 25.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -74.16 -26.17 60.15 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.383 -0.198 . . . . 25.0 111.183 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.66 -52.86 18.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 176.03 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.28 -41.94 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.334 0.588 . . . . 25.0 110.247 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -77.29 -23.7 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.883 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.98 -19.31 64.14 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -31.08 23.77 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.551 -0.718 . . . . 25.0 110.167 173.596 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.02 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -39.43 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.537 -0.727 . . . . 25.0 109.278 176.685 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -64.81 -38.01 89.53 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.06 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.28 -50.79 71.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.153 0.501 . . . . 25.0 111.922 -177.498 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 m -76.75 -24.89 52.97 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.435 0.636 . . . . 25.0 111.659 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -126.59 80.14 70.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.791 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.51 -9.14 24.64 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-O 122.0 0.75 . . . . 25.0 112.212 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.33 -9.97 48.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.69 175.162 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.04 -48.54 27.59 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.763 -0.586 . . . . 25.0 111.492 177.763 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -69.41 -20.93 35.83 Favored 'Trans proline' 0 C--N 1.358 1.027 1 C-N-CA 112.529 -4.514 . . . . 25.0 112.863 174.355 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.39 -37.21 74.48 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -78.17 -18.94 54.9 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.837 -0.539 . . . . 25.0 110.013 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.91 19.75 30.93 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 116.846 1.498 . . . . 25.0 116.846 170.591 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 m -130.86 134.07 46.47 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 -174.818 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.4 mt -124.48 103.11 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 122.522 1.153 . . . . 25.0 110.503 -171.497 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -144.3 163.49 33.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.433 -2.062 . . . . 25.0 105.433 174.632 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.07 -28.81 45.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.435 0.16 . . . . 25.0 111.241 -176.617 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.95 -38.43 85.83 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.976 -0.452 . . . . 25.0 110.807 177.045 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -85.56 -36.02 20.71 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 120.689 0.28 . . . . 25.0 110.79 179.167 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -62.71 -30.23 71.26 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 179.462 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -61.4 -40.67 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.055 -0.403 . . . . 25.0 110.835 176.908 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.52 -31.4 66.01 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 176.338 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.36 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.32 73.49 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 178.527 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 177.459 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -42.78 95.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.064 177.473 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.55 -37.46 86.23 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.72 -39.78 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.301 -0.159 . . . . 25.0 111.128 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.16 -44.58 83.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.951 0.881 . . . . 25.0 109.176 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.2 -39.24 94.06 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.209 178.177 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.53 -44.08 75.35 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 113.134 0.791 . . . . 25.0 113.134 178.59 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -30.7 70.08 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.922 0.783 . . . . 25.0 112.373 -171.461 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -61.54 -40.84 96.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 178.8 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -127.35 -1.85 6.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.825 2.158 . . . . 25.0 116.825 -174.139 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.82 -153.18 45.24 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 -174.88 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.75 -5.62 17.25 Favored 'Trans proline' 0 C--N 1.346 0.424 0 CA-C-N 118.499 1.15 . . . . 25.0 114.311 -178.227 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.28 -17.87 64.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.21 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -39.6 3.45 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.44 130.84 24.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 174.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.05 151.54 39.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 114.674 -3.084 . . . . 25.0 111.151 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.14 -20.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 121.774 -0.579 . . . . 25.0 110.938 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -72.58 -21.15 61.19 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.721 -0.612 . . . . 25.0 111.216 176.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.45 83.5 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 119.911 -0.716 . . . . 25.0 109.278 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -71.59 -30.22 65.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.108 0.48 . . . . 25.0 110.788 177.8 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -72.18 -45.34 60.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.05 -44.66 94.52 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.185 175.236 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -60.48 -41.22 93.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.1 -30.88 71.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.117 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 25.0 109.928 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.83 -30.44 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -57.92 -45.2 86.89 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.977 -0.452 . . . . 25.0 111.43 -178.768 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.4 -28.41 62.97 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.673 -179.521 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.6 -39.55 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.34 -0.225 . . . . 25.0 111.462 179.443 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.1 mt -73.52 -40.47 55.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.263 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.41 -32.13 72.92 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.801 0.334 . . . . 25.0 110.765 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -115.68 36.26 4.07 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.781 178.562 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -61.31 -22.44 64.88 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.169 0.509 . . . . 25.0 110.869 178.276 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.49 -27.92 69.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.934 1.087 . . . . 25.0 113.934 -179.355 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.55 8.95 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.564 0.697 . . . . 25.0 110.055 179.537 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -125.75 77.96 69.54 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.71 -22.94 27.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 117.358 -1.295 . . . . 25.0 115.182 -174.051 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -39.19 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 179.58 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -81.87 -31.22 10.58 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.425 0 C-N-CA 119.605 -0.838 . . . . 25.0 109.434 178.437 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -40.71 94.53 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.868 0.758 . . . . 25.0 111.039 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.28 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.92 0.39 . . . . 25.0 110.391 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -33.64 63.29 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.369 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.51 -47.08 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.916 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.36 -46.91 84.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.05 -35.68 79.33 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 179.233 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -67.15 -40.07 86.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -61.88 -40.17 94.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.726 -0.609 . . . . 25.0 111.2 175.366 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -61.62 -45.14 95.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.938 0.399 . . . . 25.0 110.475 179.773 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -67.47 -41.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.038 -178.757 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.28 -37.6 86.15 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.981 -0.449 . . . . 25.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttt . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 179.221 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.477 0 N-CA-C 112.958 -0.057 . . . . 25.0 112.958 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -70.87 -28.04 64.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.968 -0.725 . . . . 25.0 109.988 -178.839 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.43 -43.77 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.673 0.749 . . . . 25.0 109.679 176.489 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.14 -36.37 77.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.66 -0.7 . . . . 25.0 111.29 176.618 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -62.05 -10.86 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 175.633 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.1 -20.26 18.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.24 0.473 . . . . 25.0 111.094 178.867 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -80.75 92.18 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.9 -36.19 47.96 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.702 1.371 . . . . 25.0 114.702 -173.762 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.59 -34.43 75.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.335 0.588 . . . . 25.0 112.381 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -83.21 -39.79 20.49 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 178.519 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.51 -38.86 51.04 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.535 174.904 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -61.2 -38.26 85.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.356 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -67.1 -38.27 85.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.828 -0.749 . . . . 25.0 109.116 175.313 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 42.8 mt -69.75 -23.69 63.42 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 176.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.22 -35.03 76.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 177.247 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -83.9 -46.51 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.405 -0.361 . . . . 25.0 111.484 175.514 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -59.91 -40.99 90.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -173.641 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.1 -37.25 86.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -70.49 -43.85 68.86 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 179.452 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.9 p -68.96 -12.4 61.61 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -175.839 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -24.15 63.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 174.203 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.2 76.92 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 121.123 -0.561 . . . . 25.0 113.53 178.185 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.34 151.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -178.539 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -80.91 84.91 6.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.416 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.24 152.97 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.346 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -104.78 145.0 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -178.862 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -50.99 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.09 77.9 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.247 -177.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -73.9 -36.4 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 -178.088 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.79 -53.29 56.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.45 -21.49 66.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 178.598 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -65.09 -30.9 71.88 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.093 -1.004 . . . . 25.0 110.349 176.122 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -79.77 -23.82 41.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.123 -0.361 . . . . 25.0 111.12 176.266 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -73.08 -30.67 63.86 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 175.498 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.02 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 25.0 110.358 177.778 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.2 -25.34 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.209 178.257 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -47.42 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 174.495 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -67.05 -43.56 82.42 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.963 -169.161 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.92 -21.64 60.86 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -175.878 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -95.41 -32.97 12.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 25.0 111.317 176.791 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 77.66 73.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 123.469 0.708 . . . . 25.0 109.886 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.63 -19.94 36.08 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 117.846 -0.969 . . . . 25.0 112.136 -178.13 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.37 -16.42 60.38 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.274 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.92 -51.08 20.09 Favored Pre-proline 0 N--CA 1.467 0.406 0 O-C-N 121.42 -0.8 . . . . 25.0 113.037 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.52 -20.67 47.34 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 113.184 -4.077 . . . . 25.0 113.474 177.796 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.07 -15.74 63.04 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.924 0.342 . . . . 25.0 111.924 178.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.6 -20.59 56.6 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.951 -0.468 . . . . 25.0 110.427 176.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.08 16.37 40.49 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 114.671 0.628 . . . . 25.0 114.671 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.9 m -139.29 134.14 32.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -174.851 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.09 100.8 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.81 1.291 . . . . 25.0 109.531 -176.146 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 158.09 44.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 176.846 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.43 -29.66 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -173.153 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -72.52 -32.22 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -78.13 -36.19 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -62.98 -26.91 69.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.327 177.818 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -54.43 -45.58 73.06 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.011 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -53.06 -34.01 54.58 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -177.718 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.29 -40.52 82.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.604 . . . . 25.0 110.178 -177.155 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.65 -33.69 41.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.019 -179.32 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -39.72 94.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.17 -45.26 92.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.656 178.001 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.43 -40.24 90.35 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.028 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.36 -43.41 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.307 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.0 -46.16 90.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.48 . . . . 25.0 109.745 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.302 0.572 . . . . 25.0 110.219 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.82 -39.08 93.0 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.86 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -34.94 70.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.756 -0.59 . . . . 25.0 109.611 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.5 m -65.7 -46.21 79.86 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 179.218 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 2.41 6.39 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 119.052 2.982 . . . . 25.0 119.052 -173.134 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.97 179.42 48.83 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 116.871 1.509 . . . . 25.0 116.871 175.495 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.19 -9.64 26.41 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.397 2.731 . . . . 25.0 115.307 -176.252 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.5 -20.04 60.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.033 0.444 . . . . 25.0 111.239 177.506 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -108.59 -36.99 6.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.345 -171.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.64 131.09 24.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 168.877 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.9 Cg_endo -82.48 152.06 15.43 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 115.62 -2.454 . . . . 25.0 113.14 -179.278 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.85 -22.93 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.857 -0.527 . . . . 25.0 111.734 177.783 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 76' ' ' PRO . 1.6 t -70.15 -24.91 63.24 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.584 -0.698 . . . . 25.0 111.157 178.29 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.95 79.67 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 120.203 -0.599 . . . . 25.0 110.69 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -70.4 -33.84 71.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.563 0.697 . . . . 25.0 110.685 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.25 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.417 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.8 m-85 -67.63 -39.28 84.66 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.228 176.221 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -59.15 -39.82 83.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.067 0.46 . . . . 25.0 110.71 178.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -66.58 -28.56 68.61 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tt -64.74 -47.4 78.37 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 82' ' ' TYR . 2.6 mp -71.78 -32.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 -179.204 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.82 -47.37 80.45 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.28 -24.76 54.46 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.871 -1.132 . . . . 25.0 110.918 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.84 -43.6 95.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.181 -0.324 . . . . 25.0 111.712 174.159 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.49 -42.84 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.79 -31.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.442 0.639 . . . . 25.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -110.98 23.55 14.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.772 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -59.38 -28.16 66.63 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -175.317 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -74.01 -16.7 61.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -171.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -113.43 8.35 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.51 0.671 . . . . 25.0 109.684 175.324 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -129.91 78.04 75.68 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.347 178.716 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.14 -23.39 45.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 N-CA-C 115.81 1.427 . . . . 25.0 115.81 -173.6 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -67.39 -35.12 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.654 -0.654 . . . . 25.0 109.583 178.379 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 120.421 -0.511 . . . . 25.0 110.46 177.801 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.51 -39.05 92.29 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.854 -0.529 . . . . 25.0 111.505 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.78 68.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 177.372 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.26 -34.89 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.118 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.62 -52.7 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.021 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.09 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.192 -178.6 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.78 -37.99 89.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.202 -0.599 . . . . 25.0 111.633 178.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -68.47 -39.72 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.777 -0.769 . . . . 25.0 108.943 -178.743 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.64 -41.34 90.27 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.28 -0.168 . . . . 25.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.88 -37.81 70.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.06 -35.55 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 178.13 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.39 -22.8 67.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp . . . . . 0 N--CA 1.474 0.742 0 CA-C-N 118.085 0.402 . . . . 25.0 111.088 179.972 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.179 0 N-CA-C 111.177 -0.769 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.96 -39.18 79.65 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.521 -0.399 . . . . 25.0 109.998 177.606 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -33.6 75.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 25.0 109.987 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.7 -40.84 61.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.211 -0.306 . . . . 25.0 110.762 178.559 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -59.98 -29.19 68.28 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.662 0.616 . . . . 25.0 112.662 172.515 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -84.35 -19.09 34.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.127 -0.358 . . . . 25.0 111.876 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -83.2 90.89 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.893 -0.504 . . . . 25.0 110.962 -178.207 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -40.63 29.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.971 1.471 . . . . 25.0 114.971 -175.337 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -62.36 -36.99 83.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -78.88 -37.94 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.43 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.03 -37.91 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.532 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -59.74 -44.17 93.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 122.059 -0.401 . . . . 25.0 111.46 178.395 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.51 76.53 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.71 -23.47 66.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -179.041 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.19 -23.3 66.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 176.693 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -83.74 -54.3 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 173.108 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.19 87.53 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.968 1.469 . . . . 25.0 114.968 -174.123 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -37.41 83.03 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 178.722 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.43 -36.15 58.13 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -67.3 -25.51 66.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.553 0.615 . . . . 25.0 112.135 -176.856 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.33 59.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.453 -0.499 . . . . 25.0 109.696 175.001 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.07 14.83 82.21 Favored Glycine 0 C--O 1.231 -0.08 0 N-CA-C 111.294 -0.722 . . . . 25.0 111.294 -178.274 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -85.07 121.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.027 0.918 . . . . 25.0 109.122 -177.803 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -86.2 84.74 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.51 -177.891 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.28 159.11 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.8 161.25 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.95 -38.12 81.54 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.902 -0.499 . . . . 25.0 110.142 174.371 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.58 78.3 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.046 0.45 . . . . 25.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -72.66 -38.0 67.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.339 -175.378 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -54.18 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -175.473 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.93 -21.56 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -53.69 -38.08 63.86 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.232 0.539 . . . . 25.0 110.501 173.96 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.44 -23.9 39.95 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.654 0.612 . . . . 25.0 112.654 -178.862 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.9 -34.47 77.85 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 173.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -37.17 82.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.312 -179.374 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.19 -38.68 92.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.889 -0.596 . . . . 25.0 112.557 -179.027 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -26.52 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.802 -0.562 . . . . 25.0 111.295 -178.725 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -62.76 -36.08 81.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 -176.139 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.85 -52.82 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.765 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -26.77 65.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.707 0.765 . . . . 25.0 112.883 -176.462 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.5 m -129.35 78.0 76.55 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.894 178.662 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.36 -18.62 29.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-O 121.581 0.575 . . . . 25.0 112.777 -178.336 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -19.33 59.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.704 176.514 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.54 -53.58 28.7 Favored Pre-proline 0 CA--C 1.544 0.73 0 O-C-N 121.676 -0.64 . . . . 25.0 111.522 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.42 -24.28 22.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.941 -3.572 . . . . 25.0 113.693 175.326 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.24 -43.39 95.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 25.0 111.432 -178.814 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -80.89 -19.56 44.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 25.0 110.089 178.795 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.79 31.92 73.05 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 121.394 -0.431 . . . . 25.0 113.807 174.811 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m -125.84 128.92 48.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.546 0.673 . . . . 25.0 109.563 -175.648 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -122.75 104.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.563 1.173 . . . . 25.0 110.519 -173.285 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -146.59 161.4 40.59 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 176.788 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -60.35 -39.09 79.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 119.294 -0.384 . . . . 25.0 111.515 -175.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -60.69 -29.07 69.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.543 0.61 . . . . 25.0 112.098 -179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -83.03 -36.96 24.55 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 122.409 -0.182 . . . . 25.0 110.593 175.814 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -64.67 -29.03 70.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -59.73 -47.21 86.55 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.767 0.794 . . . . 25.0 109.28 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.84 -31.0 64.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 113.842 -1.526 . . . . 25.0 113.313 177.815 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.71 -37.24 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -37.17 61.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.539 178.338 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -64.41 -34.8 79.01 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 175.864 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -45.27 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.647 0.261 . . . . 25.0 110.831 177.025 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.38 -36.71 84.79 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.746 177.774 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -66.32 -41.29 89.88 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.006 -177.576 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -72.51 -37.22 68.42 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.553 0.692 . . . . 25.0 110.82 -179.222 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.03 -38.17 90.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 175.834 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.0 -36.12 77.46 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.812 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.39 -35.4 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.716 -0.615 . . . . 25.0 109.675 178.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 m -76.63 -42.87 40.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.854 0.686 . . . . 25.0 112.854 -176.687 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -123.42 1.78 9.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -172.591 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.07 -171.56 52.35 Favored Glycine 0 C--O 1.245 0.823 0 N-CA-C 115.318 0.887 . . . . 25.0 115.318 177.289 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.26 -8.07 22.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.655 1.57 . . . . 25.0 113.059 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -69.19 -17.47 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.997 179.358 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -116.36 -43.75 2.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -178.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.51 131.01 22.52 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.106 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.9 151.67 21.59 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 115.184 -2.744 . . . . 25.0 111.509 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.55 -20.63 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 O-C-N 121.781 -0.574 . . . . 25.0 110.918 177.599 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -74.01 -18.86 60.8 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.592 -0.692 . . . . 25.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.66 84.41 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 119.914 -0.715 . . . . 25.0 109.168 178.586 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.09 -31.35 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 25.0 110.856 178.078 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -70.99 -45.39 64.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.912 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -59.42 -37.5 78.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.478 -0.328 . . . . 25.0 111.572 179.522 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -64.16 -32.18 73.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.43 -38.81 91.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.102 0.477 . . . . 25.0 111.213 178.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.46 -32.08 21.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 177.6 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -59.21 -46.4 88.54 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.775 -0.578 . . . . 25.0 109.946 179.251 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -70.41 -29.53 66.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.296 0.498 . . . . 25.0 110.639 -179.243 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -54.78 42.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 25.0 110.21 175.193 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.08 -36.5 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.367 -175.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.52 -33.22 67.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 25.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -118.77 31.42 6.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 179.156 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -66.52 -23.19 66.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.288 0.566 . . . . 25.0 109.914 176.747 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 5.6 pt-20 -60.78 -28.28 68.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -179.37 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.87 11.43 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.086 0.47 . . . . 25.0 111.255 -176.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -130.79 100.02 17.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.607 -0.27 . . . . 25.0 111.493 -177.145 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.67 -27.23 27.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -176.554 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -64.58 -38.41 90.93 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.701 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -72.66 -50.85 31.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.97 178.636 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -62.32 -32.69 73.48 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.256 -0.278 . . . . 25.0 111.022 -173.533 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.62 80.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 122.006 -0.434 . . . . 25.0 110.567 174.517 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -37.89 67.24 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.11 -52.92 54.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 -178.897 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.83 98.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.245 0.341 . . . . 25.0 110.148 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.52 -39.59 94.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 120.62 -0.432 . . . . 25.0 111.759 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.4 m -69.66 -35.74 75.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.771 -0.772 . . . . 25.0 109.297 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.06 -40.84 95.2 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 122.025 -0.422 . . . . 25.0 110.361 175.238 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.07 -46.38 77.92 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.166 0.508 . . . . 25.0 111.53 176.912 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.81 -40.01 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.797 -175.66 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -37.71 88.38 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.921 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.0 mttm . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.901 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.139 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -67.75 -36.76 81.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.425 -0.456 . . . . 25.0 111.233 179.443 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.49 -30.82 47.43 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 119.554 -0.858 . . . . 25.0 110.086 178.585 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.68 -41.04 98.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.894 -0.503 . . . . 25.0 111.028 178.66 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -13.56 18.68 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.555 1.317 . . . . 25.0 114.555 176.509 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -122.89 24.09 9.14 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.839 0.828 . . . . 25.0 110.377 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -115.31 85.54 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.28 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -50.59 -37.33 39.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -55.41 -38.09 68.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.052 0.842 . . . . 25.0 111.596 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -81.07 -36.06 30.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.881 -179.178 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.96 -39.73 80.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.546 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.76 -42.28 88.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.878 0.763 . . . . 25.0 111.522 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.24 -41.02 99.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 177.663 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 10.9 mt -71.78 -23.75 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.99 -35.86 77.93 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 178.371 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.71 -45.56 13.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.644 176.312 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -60.0 -40.0 87.71 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.074 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.34 -37.16 77.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -73.84 -26.35 60.54 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 179.534 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.5 p -63.36 -28.3 69.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.923 0.783 . . . . 25.0 113.03 -175.827 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -6.89 50.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.96 0.41 . . . . 25.0 110.982 179.051 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.18 3.81 57.94 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 114.266 0.466 . . . . 25.0 114.266 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -80.76 106.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -81.95 84.5 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.071 -176.399 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 176.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -73.6 147.84 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.248 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -47.89 76.24 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 111.485 0.18 . . . . 25.0 111.485 177.552 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.51 74.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 120.754 0.312 . . . . 25.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -53.66 8.69 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.189 -0.604 . . . . 25.0 111.409 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.89 -19.98 61.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 178.422 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -55.15 -39.13 69.13 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.862 -0.524 . . . . 25.0 110.403 172.316 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -79.36 -23.91 43.05 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.959 -0.463 . . . . 25.0 111.64 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -70.68 -22.24 62.49 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.71 -34.61 22.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.786 -0.571 . . . . 25.0 110.491 177.433 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.16 -33.88 74.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.74 -32.49 54.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 121.743 -0.598 . . . . 25.0 110.541 177.391 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -63.69 -32.6 74.14 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.891 -0.506 . . . . 25.0 112.079 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.1 -53.48 20.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.177 0.513 . . . . 25.0 110.666 178.74 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.73 -28.94 58.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -175.892 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.01 78.95 58.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.206 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -69.29 -15.53 38.92 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 118.262 -0.692 . . . . 25.0 112.077 177.738 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.352 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -65.13 -51.56 54.01 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 121.437 -0.79 . . . . 25.0 111.554 178.841 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.84 -20.1 30.15 Favored 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 113.083 -4.144 . . . . 25.0 113.481 176.347 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.6 -39.36 93.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.731 0.301 . . . . 25.0 111.37 179.249 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -67.98 -23.53 65.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 121.022 -0.271 . . . . 25.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.81 57.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.805 -0.236 . . . . 25.0 113.321 176.199 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -133.42 129.66 37.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 -173.546 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.9 mt -124.99 112.51 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.782 1.277 . . . . 25.0 109.683 -178.055 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -152.08 169.0 23.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 103.106 -2.924 . . . . 25.0 103.106 179.008 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -30.2 49.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 118.157 0.435 . . . . 25.0 110.957 178.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -67.59 -31.59 71.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.757 -0.589 . . . . 25.0 110.425 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -81.24 -39.84 24.7 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.207 0.527 . . . . 25.0 109.591 178.439 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 25.0 111.565 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.77 -36.9 80.1 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.147 -0.454 . . . . 25.0 111.181 176.111 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -53.78 -36.05 62.0 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 120.788 0.328 . . . . 25.0 111.434 176.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.41 -40.29 79.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.154 0.502 . . . . 25.0 110.674 -175.014 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -37.9 70.03 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.965 -1.254 . . . . 25.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.06 -41.9 98.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 177.528 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.88 91.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.592 179.427 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.43 -38.81 91.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 179.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -66.79 -41.58 87.39 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.874 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.65 -38.85 77.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.508 0.67 . . . . 25.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 176.767 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -67.65 -34.08 76.23 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.499 -0.318 . . . . 25.0 110.579 175.73 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.53 -32.59 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 177.843 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -81.12 -43.59 19.19 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -176.345 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -123.26 5.73 9.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.457 1.651 . . . . 25.0 115.457 -174.222 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.27 -168.88 47.57 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 116.043 1.177 . . . . 25.0 116.043 174.752 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -61.67 -16.37 48.02 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.798 2.998 . . . . 25.0 115.301 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.71 -35.99 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -175.452 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -91.47 -43.41 9.72 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.487 178.458 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.62 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 105.879 -1.897 . . . . 25.0 105.879 174.546 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.43 155.82 14.26 Favored 'Trans proline' 0 CA--C 1.517 -0.339 0 C-N-CA 115.827 -2.316 . . . . 25.0 111.905 177.885 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.24 -21.72 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.77 -0.581 . . . . 25.0 110.914 176.738 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -73.5 -19.94 60.8 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.509 -0.745 . . . . 25.0 111.335 177.554 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.34 83.61 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 179.271 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -70.09 -34.08 72.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.217 0.532 . . . . 25.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -69.26 -44.09 72.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.87 -0.789 . . . . 25.0 108.87 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -64.56 -44.0 92.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.792 -0.64 . . . . 25.0 109.398 176.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -58.03 -40.1 80.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.415 -0.357 . . . . 25.0 111.713 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.43 -30.69 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.463 -179.393 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.07 -45.09 82.53 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.94 -31.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.513 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -58.61 -45.32 89.43 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 119.0 -0.524 . . . . 25.0 109.996 179.408 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -27.95 62.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 119.109 0.868 . . . . 25.0 111.125 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -41.29 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.139 -0.224 . . . . 25.0 110.748 176.798 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.85 -39.23 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.808 -0.357 . . . . 25.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.24 -33.62 67.75 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.837 0.351 . . . . 25.0 110.868 -178.62 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -120.33 33.57 5.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.226 0.536 . . . . 25.0 111.994 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -66.53 -19.13 65.71 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.181 0.515 . . . . 25.0 110.366 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.62 -31.39 72.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.26 7.47 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.647 0.737 . . . . 25.0 109.869 179.502 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -126.97 79.77 72.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.496 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.01 -18.77 46.21 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 117.489 -1.207 . . . . 25.0 113.957 -176.881 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.62 -44.91 89.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 179.475 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.91 -29.02 9.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 C-N-CA 120.087 -0.645 . . . . 25.0 110.504 -179.796 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -60.02 -40.76 90.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.453 0.57 . . . . 25.0 110.241 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.019 -0.426 . . . . 25.0 110.59 176.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.65 -34.35 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.227 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.65 -49.16 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 177.55 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.41 98.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.388 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.69 -36.2 83.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.004 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.6 m -66.95 -38.56 86.35 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.631 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.3 -35.3 79.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 119.083 -0.484 . . . . 25.0 111.439 176.795 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.14 -47.81 81.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.579 0.704 . . . . 25.0 110.221 176.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.2 mt -64.1 -32.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.502 -0.772 . . . . 25.0 109.909 -176.077 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.38 -27.46 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.944 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp . . . . . 0 N--CA 1.473 0.679 0 O-C-N 121.826 -0.546 . . . . 25.0 111.588 176.456 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.182 0 N-CA-C 114.093 0.397 . . . . 25.0 114.093 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.66 -42.6 77.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.16 -0.612 . . . . 25.0 110.098 -174.9 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -71.35 -30.49 66.23 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.302 -178.738 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.52 -38.93 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.984 -0.448 . . . . 25.0 110.401 176.132 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.52 -8.11 31.22 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.402 0.89 . . . . 25.0 113.402 175.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -108.8 -13.3 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 25.0 111.282 179.405 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -81.06 94.17 6.54 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 122.107 -0.37 . . . . 25.0 110.179 -178.453 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -43.66 -44.92 6.68 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.855 1.798 . . . . 25.0 115.855 -173.593 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.8 -34.18 74.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.521 0.676 . . . . 25.0 112.105 -178.171 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -83.75 -39.83 19.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.256 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.3 -41.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.729 177.424 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.61 -43.66 93.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.994 0.816 . . . . 25.0 111.572 178.771 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.45 -41.54 96.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 178.216 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.48 -23.62 65.51 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.05 -33.45 75.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.87 -45.2 13.5 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.46 -0.336 . . . . 25.0 110.297 177.349 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.09 96.44 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 -176.23 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.79 88.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.647 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.34 -43.62 85.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -68.63 -18.67 64.34 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -177.614 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -21.56 61.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.094 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.05 22.54 78.77 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.023 -0.608 . . . . 25.0 113.604 176.483 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.26 143.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 25.0 110.085 -176.363 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -83.19 84.44 7.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 25.0 110.166 -178.1 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -131.5 132.77 62.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -79.0 158.74 27.88 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.03 -46.28 78.88 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 121.937 -0.477 . . . . 25.0 110.484 173.88 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.67 76.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -67.7 -43.46 80.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -176.766 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.58 -55.3 10.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.316 0.579 . . . . 25.0 111.78 -177.239 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.0 -19.83 65.47 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.301 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -60.17 -32.0 70.64 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 119.961 -0.696 . . . . 25.0 110.623 173.278 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.9 -23.81 36.06 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.571 -0.705 . . . . 25.0 111.776 178.315 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.36 -25.65 65.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 169.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.65 -22.78 37.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.153 0.501 . . . . 25.0 111.258 176.912 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -71.94 -41.28 68.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.809 -0.557 . . . . 25.0 109.732 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.17 -26.43 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 122.091 -0.381 . . . . 25.0 110.082 177.731 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.64 -39.25 76.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.747 0.308 . . . . 25.0 110.35 176.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.5 -55.24 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.804 -0.635 . . . . 25.0 112.684 -178.378 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -24.54 62.79 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -174.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.85 76.76 70.78 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.817 176.356 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.9 -12.76 28.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.72 0.633 . . . . 25.0 112.327 -177.798 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -17.9 38.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.82 176.523 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.81 -49.21 87.02 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -177.729 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.09 -20.46 37.94 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 113.061 -4.16 . . . . 25.0 113.954 177.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.75 -15.64 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.889 0.329 . . . . 25.0 111.889 178.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -77.99 -30.62 50.26 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.342 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.22 20.52 58.48 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.749 -175.717 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -131.22 127.33 37.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -173.165 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -128.81 105.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.799 1.285 . . . . 25.0 109.757 -177.667 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -146.77 166.91 25.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 104.646 -2.353 . . . . 25.0 104.646 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.46 -30.2 47.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -65.73 -27.4 68.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.253 -0.279 . . . . 25.0 111.622 179.58 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.59 -49.0 8.37 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.631 0.729 . . . . 25.0 109.126 175.072 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -59.14 -35.83 74.16 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 114.854 1.428 . . . . 25.0 114.854 -175.364 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -58.41 -36.71 73.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.953 0.406 . . . . 25.0 111.942 -176.621 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -63.87 -21.02 66.26 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.45 1.278 . . . . 25.0 114.45 177.042 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 -37.72 80.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -35.13 64.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.871 -0.892 . . . . 25.0 110.871 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.13 -41.51 98.33 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 176.509 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -43.47 96.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.958 179.098 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -63.89 -38.18 90.15 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -68.05 -39.6 82.99 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 121.069 -0.252 . . . . 25.0 110.636 -177.665 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.27 -45.01 93.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.633 0.73 . . . . 25.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.25 -35.2 79.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -65.61 -37.29 86.18 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.652 176.849 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.03 -33.55 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.883 -0.511 . . . . 25.0 111.659 -177.123 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -69.64 -42.77 73.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -175.865 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.24 1.66 6.41 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.598 1.703 . . . . 25.0 115.598 -174.249 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.94 -162.86 48.97 Favored Glycine 0 C--O 1.243 0.709 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.371 -178.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.64 -7.31 21.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 121.179 1.253 . . . . 25.0 114.386 -178.018 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -74.9 -5.82 45.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -115.46 -46.5 2.87 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 179.317 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.16 131.04 24.47 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 176.552 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -76.63 153.51 34.29 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 114.612 -3.125 . . . . 25.0 111.382 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.83 -20.95 28.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 121.841 -0.537 . . . . 25.0 110.625 177.07 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.2 -17.95 60.83 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.661 -0.65 . . . . 25.0 111.593 177.384 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.2 82.96 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.571 -0.706 . . . . 25.0 109.478 178.23 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -72.67 -28.63 62.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.304 0.573 . . . . 25.0 110.738 178.152 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -73.97 -44.45 54.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 179.591 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.57 -43.12 99.59 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.221 175.482 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -57.9 -37.99 75.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.735 0.302 . . . . 25.0 111.211 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -69.42 -30.51 68.48 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.3 -44.16 88.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.172 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.97 -31.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.183 0.516 . . . . 25.0 109.795 179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -52.6 -51.14 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.22 -0.3 . . . . 25.0 111.313 179.425 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.2 -29.38 66.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.226 -0.589 . . . . 25.0 111.578 -178.813 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.41 -40.07 89.35 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.224 -0.297 . . . . 25.0 111.2 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -77.24 -42.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 178.159 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.22 -36.99 78.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 25.0 110.717 -176.463 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -113.87 38.64 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.08 -25.22 65.23 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.226 0.536 . . . . 25.0 109.784 176.157 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.95 -30.09 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -179.18 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.21 7.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 121.516 0.674 . . . . 25.0 110.063 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -125.46 78.07 68.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.677 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -19.07 42.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.465 -1.224 . . . . 25.0 114.406 -175.819 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 178.163 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.02 -27.12 14.77 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 C-N-CA 119.98 -0.688 . . . . 25.0 110.589 -177.628 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -41.56 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.809 0.731 . . . . 25.0 110.669 178.019 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.65 -27.92 68.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.086 0.47 . . . . 25.0 110.419 176.561 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.42 -30.47 53.5 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.77 -48.21 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 176.376 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.85 98.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.08 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.62 -40.79 96.12 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.479 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -66.86 -37.76 85.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.0 -39.9 93.8 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.001 -0.437 . . . . 25.0 110.664 177.482 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.27 -41.2 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.235 -0.29 . . . . 25.0 111.546 178.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.06 -37.76 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.59 -36.28 80.21 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.13 -0.356 . . . . 25.0 111.276 176.914 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 C--N 1.324 -0.541 0 O-C-N 122.109 -0.37 . . . . 25.0 111.768 177.564 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.143 0 N-CA-C 112.712 -0.155 . . . . 25.0 112.712 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.15 -36.65 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.927 0.363 . . . . 25.0 111.451 178.839 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.24 -43.23 61.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 176.709 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.7 -41.87 91.75 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.668 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -59.77 -24.4 64.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.741 1.756 . . . . 25.0 115.741 172.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -98.2 -14.08 20.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 25.0 110.333 -178.708 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -80.51 75.95 7.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.66 -33.61 10.3 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 -173.246 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -62.07 -33.21 73.99 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.224 -0.923 . . . . 25.0 112.303 177.814 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -83.64 -38.06 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 177.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.29 -39.62 68.85 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 CA-C-O 118.892 -0.575 . . . . 25.0 110.105 176.33 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -55.69 -45.01 77.89 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.343 0.974 . . . . 25.0 112.039 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -69.07 -34.47 75.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.822 -0.549 . . . . 25.0 110.226 178.707 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.244 -0.583 . . . . 25.0 112.144 175.041 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.59 -38.68 91.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.667 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.89 -48.37 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 176.169 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.03 92.41 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.544 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.68 -39.06 90.92 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 178.875 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.07 -45.88 83.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 -179.151 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -70.97 -18.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.569 -0.453 . . . . 25.0 111.057 -179.099 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -26.31 57.48 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.233 -0.292 . . . . 25.0 110.513 176.479 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 11.38 74.86 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 111.072 -0.811 . . . . 25.0 111.072 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.19 125.66 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.71 0.767 . . . . 25.0 110.345 -172.509 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.7 84.64 3.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -147.59 139.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -179.046 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.92 138.45 58.38 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 178.512 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -51.37 25.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -179.568 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.79 -29.04 69.88 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 120.924 0.392 . . . . 25.0 111.259 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.56 -19.34 45.88 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.513 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.61 -52.19 8.3 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.552 -1.277 . . . . 25.0 107.552 173.097 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' ' 35' ' ' PHE . 4.3 mm? -52.8 -33.32 48.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.976 176.133 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -49.78 -38.04 32.52 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -73.16 -24.26 60.55 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.657 -0.652 . . . . 25.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' A' ' 32' ' ' LEU . 29.7 m-85 -73.37 -24.21 60.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.228 174.068 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.26 -29.58 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.462 0.649 . . . . 25.0 109.331 177.31 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.88 -34.09 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.288 178.342 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.11 -30.74 42.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.161 -0.616 . . . . 25.0 109.817 177.299 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -37.68 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 178.724 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.98 -47.91 34.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.154 -179.408 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -72.71 -38.23 67.56 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -176.397 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 82.74 45.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 122.134 -0.353 . . . . 25.0 110.225 -178.157 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.6 -16.75 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 CA-C-O 121.669 0.612 . . . . 25.0 112.037 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -11.04 59.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.018 176.392 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -71.17 -52.72 8.93 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.394 -0.816 . . . . 25.0 111.857 177.41 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.45 -20.06 48.45 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 113.61 -3.793 . . . . 25.0 113.453 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -63.16 -25.11 68.19 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.597 0.359 . . . . 25.0 111.951 177.357 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.03 -16.65 62.62 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.859 -0.526 . . . . 25.0 111.273 178.217 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.74 14.33 43.36 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 116.176 1.23 . . . . 25.0 116.176 174.854 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -137.88 140.06 40.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -173.303 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mm -114.18 113.65 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 122.895 1.331 . . . . 25.0 109.517 178.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -152.11 158.47 43.01 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.109 -1.405 . . . . 25.0 107.654 176.193 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.65 -29.95 48.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.231 -176.952 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -66.26 -33.16 75.11 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.065 -0.397 . . . . 25.0 110.063 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -81.38 -33.87 32.03 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.238 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -63.78 -26.6 68.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.708 177.138 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -55.06 -46.62 75.42 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 176.127 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -57.61 -29.41 64.5 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -177.702 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.23 -40.15 80.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.594 0.711 . . . . 25.0 109.207 -179.556 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -35.94 59.12 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.499 -1.04 . . . . 25.0 110.499 178.886 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.1 -37.91 89.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 177.218 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -44.33 96.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 25.0 111.239 177.532 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.16 -38.0 89.18 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.271 -0.572 . . . . 25.0 109.524 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -64.29 -43.68 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.65 0.262 . . . . 25.0 110.739 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -62.86 -48.32 79.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.745 0.783 . . . . 25.0 109.628 -177.726 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -33.32 75.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.854 179.444 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -67.82 -36.91 81.21 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.907 -0.496 . . . . 25.0 110.906 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.784 -0.572 . . . . 25.0 109.868 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.5 m -69.67 -43.07 73.3 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.34 6.51 7.02 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.112 1.893 . . . . 25.0 116.112 -170.926 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.08 -177.69 50.04 Favored Glycine 0 C--O 1.243 0.715 0 N-CA-C 116.775 1.47 . . . . 25.0 116.775 174.714 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.66 -9.39 23.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.329 2.019 . . . . 25.0 114.604 -178.483 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.61 -20.51 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.301 0.572 . . . . 25.0 110.437 178.544 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -95.96 -49.43 5.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.573 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.82 130.95 24.19 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.99 153.97 22.45 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 115.317 -2.655 . . . . 25.0 111.782 178.382 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.47 -20.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.769 -0.582 . . . . 25.0 110.659 176.22 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.91 -19.92 61.17 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.618 -0.676 . . . . 25.0 111.197 177.713 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.75 83.81 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.499 0.59 . . . . 25.0 109.659 179.311 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -71.0 -30.37 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.324 0.583 . . . . 25.0 111.073 178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -74.82 -42.37 58.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 -179.746 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.41 -44.0 95.89 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 175.364 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.66 -36.99 75.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.168 0.509 . . . . 25.0 111.306 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -70.66 -36.03 73.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 122.892 0.477 . . . . 25.0 110.812 -177.519 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.77 -36.58 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.398 -179.228 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.97 -28.4 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.678 -0.237 . . . . 25.0 110.565 178.039 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -57.15 -41.92 80.03 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.578 -0.701 . . . . 25.0 110.711 -179.532 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.93 -24.7 59.71 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 110.971 -177.535 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.7 -40.29 63.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.324 -0.235 . . . . 25.0 110.966 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.5 mt -73.87 -39.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.64 -35.55 74.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.748 0.308 . . . . 25.0 110.3 -177.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -113.22 32.57 5.65 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 178.377 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -63.78 -23.71 67.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.45 0.643 . . . . 25.0 110.048 175.777 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -61.91 -24.06 66.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.91 11.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.094 0.473 . . . . 25.0 110.735 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -129.62 85.55 58.21 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 121.047 0.451 . . . . 25.0 110.972 -177.082 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.26 -24.35 43.96 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 N-CA-C 116.892 1.843 . . . . 25.0 116.892 -171.36 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.52 -35.08 79.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.759 0.709 . . . . 25.0 109.405 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.83 -30.61 6.91 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.747 178.938 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -62.82 -35.91 81.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 25.0 111.377 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.33 70.95 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.042 -0.411 . . . . 25.0 110.698 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.63 -34.56 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.887 -0.782 . . . . 25.0 108.887 179.275 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.95 -49.8 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 176.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.83 94.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 25.0 110.504 -178.873 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.3 -36.57 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 178.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.5 m -61.76 -44.14 97.48 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 178.553 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -58.18 -38.76 77.32 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 176.724 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.85 -45.38 86.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.477 0.656 . . . . 25.0 110.564 178.071 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.45 -32.88 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.134 -177.567 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -31.66 71.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.344 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp . . . . . 0 N--CA 1.469 0.525 0 O-C-N 122.052 -0.405 . . . . 25.0 111.726 177.106 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.219 0 N-CA-C 111.289 -0.724 . . . . 25.0 111.289 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.74 -39.87 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.752 -0.263 . . . . 25.0 110.57 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -71.2 -38.32 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.251 0.548 . . . . 25.0 111.331 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.27 -41.23 96.59 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.747 -0.595 . . . . 25.0 109.68 177.608 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 -8.79 56.27 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 174.814 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -98.59 -24.03 15.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.152 0.977 . . . . 25.0 108.891 -178.561 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -85.24 92.34 8.39 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.599 -0.728 . . . . 25.0 109.568 179.846 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -53.51 -28.6 31.96 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -178.634 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -57.66 -32.6 67.47 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.779 -0.576 . . . . 25.0 111.47 175.258 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -87.88 -40.86 13.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.225 0.61 . . . . 25.0 109.891 179.056 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 16' ' ' LYS . 45.6 t -59.02 -36.69 63.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-N 115.679 -0.691 . . . . 25.0 109.781 -179.421 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.82 -50.0 69.65 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.774 0.716 . . . . 25.0 112.722 178.312 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -64.37 -40.37 95.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.161 0.981 . . . . 25.0 109.166 178.123 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -69.56 -23.58 63.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.027 -176.793 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' HG12 ' A' ' 12' ' ' VAL . 68.2 mttt -61.19 -40.27 93.3 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.247 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.31 -41.55 21.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.909 177.253 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -62.64 -38.83 91.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.221 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.51 -39.6 91.55 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -29.67 26.67 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -175.548 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t -69.71 -18.06 63.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.632 0.651 . . . . 25.0 110.477 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.89 -14.68 59.86 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.929 -0.482 . . . . 25.0 110.389 174.85 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.11 -20.6 9.68 Favored Glycine 0 CA--C 1.517 0.2 0 CA-C-O 121.333 0.407 . . . . 25.0 113.567 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 t -76.02 124.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -177.142 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -83.77 84.34 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.952 -0.467 . . . . 25.0 110.395 -176.956 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.3 153.03 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.176 0.513 . . . . 25.0 109.879 178.367 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.06 141.48 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 175.091 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -51.58 61.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.28 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.48 81.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -177.134 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.41 -34.15 58.82 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.913 -0.315 . . . . 25.0 110.346 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.85 -53.7 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.158 0.504 . . . . 25.0 110.254 -179.386 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.97 -20.91 66.36 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.537 0.569 . . . . 25.0 112.537 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -63.56 -28.53 70.0 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.395 -0.922 . . . . 25.0 110.169 175.508 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.28 -23.8 43.35 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.217 -0.927 . . . . 25.0 112.007 175.935 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.95 -36.9 78.47 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 106.171 -1.789 . . . . 25.0 106.171 172.075 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.71 -32.55 73.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.774 -1.103 . . . . 25.0 110.41 179.233 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.02 -37.89 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.113 -0.494 . . . . 25.0 111.558 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -66.11 -29.12 45.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 119.787 -0.765 . . . . 25.0 109.998 179.58 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.33 -37.15 86.48 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.114 -177.058 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.1 -52.75 25.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.679 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -74.01 -29.26 61.85 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.27 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -124.01 75.14 58.19 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.26 -177.906 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.22 -17.07 40.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.043 -0.838 . . . . 25.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.48 -13.18 59.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.626 176.592 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -69.0 -54.36 12.35 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 121.311 -0.868 . . . . 25.0 111.573 177.884 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.18 -17.16 35.83 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 113.665 -3.757 . . . . 25.0 113.306 177.141 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.05 -33.61 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.386 0.274 . . . . 25.0 111.62 178.117 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.86 -21.99 61.59 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.989 -0.444 . . . . 25.0 110.868 177.496 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.4 20.3 36.67 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.149 0.82 . . . . 25.0 115.149 177.906 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -130.73 132.77 45.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.673 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mm -105.63 112.69 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 122.921 1.343 . . . . 25.0 109.967 179.568 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -149.74 161.04 43.0 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.872 -1.513 . . . . 25.0 107.197 174.336 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -67.08 -28.92 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.418 -0.355 . . . . 25.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 90.5 mttt -67.17 -34.94 78.6 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.903 -0.498 . . . . 25.0 109.889 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -70.38 -38.13 74.67 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.46 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -66.88 -27.53 67.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 27.5 mmt180 -57.91 -47.36 83.05 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.65 -30.57 63.48 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -178.533 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.22 -41.07 88.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.703 . . . . 25.0 109.911 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -33.93 43.85 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.351 -0.928 . . . . 25.0 110.832 -179.199 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.93 -38.78 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.37 -44.51 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.658 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.18 -37.58 87.8 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 179.205 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.08 -41.55 86.17 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.304 -0.158 . . . . 25.0 111.01 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.53 -47.07 83.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.699 0.762 . . . . 25.0 109.095 -178.709 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -37.35 87.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.108 178.712 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.59 -37.03 84.05 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 122.185 -0.322 . . . . 25.0 111.517 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -34.44 63.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.472 -0.767 . . . . 25.0 109.755 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.7 m -67.84 -43.03 80.49 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.27 2.27 6.38 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 117.284 2.327 . . . . 25.0 117.284 -171.884 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.64 178.35 52.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.194 1.638 . . . . 25.0 117.194 174.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.38 -15.18 31.29 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.646 2.23 . . . . 25.0 113.862 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.64 -14.46 61.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.589 0.709 . . . . 25.0 109.738 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.03 -44.58 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.088 -178.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.72 130.88 23.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 178.204 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.19 149.49 19.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 115.219 -2.72 . . . . 25.0 112.722 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.58 -19.75 26.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 121.826 -0.546 . . . . 25.0 110.862 176.327 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.68 -19.03 61.49 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.605 -0.685 . . . . 25.0 111.221 177.565 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -37.64 88.09 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -71.6 -33.06 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.293 0.568 . . . . 25.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -69.05 -45.89 69.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.72 -41.62 98.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 25.0 109.885 176.727 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.11 -40.17 80.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.077 179.314 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.06 -29.32 70.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -179.399 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.01 -41.26 97.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.53 0.681 . . . . 25.0 109.85 179.727 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.69 -29.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 179.277 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.78 -52.61 64.36 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -67.35 -22.42 65.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -178.331 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.0 tp -79.77 -42.52 24.32 Favored 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 122.879 0.472 . . . . 25.0 111.445 -177.053 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.02 -34.91 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 176.287 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.61 -28.86 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.998 0.519 . . . . 25.0 110.968 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -122.84 32.67 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.11 0.481 . . . . 25.0 112.283 -179.084 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -63.15 -24.87 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.693 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.3 -26.51 67.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -178.309 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -109.2 10.61 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.663 0.744 . . . . 25.0 109.835 177.84 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.1 81.51 62.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.691 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -65.75 -17.71 56.88 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.325 -1.316 . . . . 25.0 113.722 -178.708 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -63.45 -44.3 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.881 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -84.84 -25.25 6.99 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.986 179.543 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -39.39 80.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.979 0.809 . . . . 25.0 110.716 179.838 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.24 79.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.329 175.436 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.79 59.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 122.314 -0.241 . . . . 25.0 110.701 -178.439 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.02 -48.77 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 107.589 -1.263 . . . . 25.0 107.589 177.257 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.18 88.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.953 179.483 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.8 -38.52 90.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.039 -0.413 . . . . 25.0 111.393 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.1 m -63.64 -44.62 93.33 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.595 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.08 -46.67 85.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.697 -0.401 . . . . 25.0 111.441 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -64.07 -37.46 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 25.0 111.679 -178.637 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -70.32 -38.66 75.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.569 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.344 -0.222 . . . . 25.0 110.881 177.742 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.5 mttt . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.224 0.535 . . . . 25.0 110.44 177.847 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 0 CA-C-O 120.237 -0.202 . . . . 25.0 112.828 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -64.62 -36.89 85.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.374 0.587 . . . . 25.0 110.826 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.93 -28.12 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.295 0.569 . . . . 25.0 110.425 178.895 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.02 -38.87 92.3 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.881 -0.512 . . . . 25.0 110.575 175.032 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -8.48 45.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 172.82 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -94.76 -17.4 22.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.093 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.88 101.28 13.23 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 122.091 -0.381 . . . . 25.0 110.032 -179.51 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.86 -36.99 63.21 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 -173.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -63.95 -37.33 87.02 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.939 0.791 . . . . 25.0 111.279 178.277 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -71.53 -43.6 66.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.751 0.786 . . . . 25.0 108.965 179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.69 -40.93 78.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 CA-C-N 114.847 -1.069 . . . . 25.0 109.748 176.729 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.23 -48.18 79.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.091 0.859 . . . . 25.0 112.229 179.178 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.65 -40.19 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 25.0 109.948 178.143 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -71.45 -24.12 61.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.771 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -60.52 -41.83 95.21 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 175.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -74.84 -41.57 59.62 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.825 178.884 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.77 79.03 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -176.588 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.51 -37.73 88.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 177.135 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -63.64 -45.79 88.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.292 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 p -68.77 -20.8 64.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.246 0.476 . . . . 25.0 111.77 -178.624 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -74.4 -20.73 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.364 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.45 79.32 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 121.125 -0.559 . . . . 25.0 113.55 175.106 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -120.91 138.82 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.709 0.766 . . . . 25.0 110.441 -175.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -85.35 84.29 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.213 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.5 t -114.85 134.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 177.388 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -64.36 135.69 56.41 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.093 -1.817 . . . . 25.0 106.093 177.881 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -47.26 68.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.806 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.27 70.55 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.86 179.068 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.92 -31.56 51.17 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.22 -52.55 32.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 176.229 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -20.05 66.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.75 -40.04 72.0 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 173.44 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -77.02 -24.28 52.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.8 -21.8 61.66 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 172.203 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.0 -38.46 25.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 176.686 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.0 -31.97 73.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.871 -0.732 . . . . 25.0 109.478 177.289 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -64.51 -36.89 85.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.56 -0.712 . . . . 25.0 111.297 179.541 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.97 -35.63 81.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.152 0.501 . . . . 25.0 111.768 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -91.51 -25.68 19.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.758 0.789 . . . . 25.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.9 m -131.5 82.24 62.22 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 123.381 0.672 . . . . 25.0 110.747 -178.173 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.6 -21.42 34.26 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 117.789 -1.007 . . . . 25.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -18.44 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.494 -0.775 . . . . 25.0 113.016 178.169 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.79 -54.39 47.78 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 121.681 -0.637 . . . . 25.0 111.384 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.41 -15.96 22.05 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 113.953 -3.564 . . . . 25.0 114.29 176.44 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.08 -47.98 72.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.606 -0.516 . . . . 25.0 109.606 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.53 -37.03 60.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 175.124 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 69.65 10.43 63.86 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-N 115.234 -0.894 . . . . 25.0 114.854 176.446 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.441 ' HB ' HH11 ' A' ' 55' ' ' ARG . 22.8 m -82.73 116.25 22.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.749 0.775 . . . . 25.0 109.04 179.365 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -112.65 99.17 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 123.357 1.551 . . . . 25.0 111.116 -176.121 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.49 166.41 29.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 104.261 -2.496 . . . . 25.0 104.261 175.581 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tp -61.38 -28.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.538 0.209 . . . . 25.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -59.14 -38.92 80.84 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.787 -0.571 . . . . 25.0 111.027 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.441 HH11 ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -85.36 -38.22 19.0 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 120.466 0.174 . . . . 25.0 111.215 177.185 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -63.06 -30.55 71.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 -178.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -60.97 -39.88 91.26 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.942 -0.474 . . . . 25.0 111.338 174.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.98 67.87 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 177.197 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.88 -38.51 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 176.209 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.824 -0.91 . . . . 25.0 110.824 178.83 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -59.88 -42.73 94.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 175.41 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.73 96.53 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.172 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -63.83 -37.96 89.34 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.019 -0.672 . . . . 25.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.48 -50.89 69.62 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.492 -0.558 . . . . 25.0 109.492 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.9 -37.66 79.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.23 -0.441 . . . . 25.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.05 -34.84 75.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 178.136 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.94 -38.93 92.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.527 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.18 -29.76 68.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.843 0.354 . . . . 25.0 111.115 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 m -83.06 -41.21 18.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.3 0.852 . . . . 25.0 113.3 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -117.51 -0.88 11.8 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.739 1.755 . . . . 25.0 115.739 -171.794 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.41 175.82 43.72 Favored Glycine 0 C--O 1.249 1.085 0 N-CA-C 116.362 1.305 . . . . 25.0 116.362 176.342 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.01 -15.82 44.02 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.731 2.287 . . . . 25.0 115.401 -178.924 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.51 -26.94 61.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.068 -0.395 . . . . 25.0 111.163 178.087 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -95.38 -48.42 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.426 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.6 t -108.0 130.93 22.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.74 156.0 10.3 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 115.962 -2.225 . . . . 25.0 112.117 177.553 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.04 -21.51 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.688 -0.632 . . . . 25.0 110.841 176.217 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 t -74.35 -17.6 60.81 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.696 -0.627 . . . . 25.0 111.287 177.545 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.13 79.69 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.54 -32.05 69.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.228 0.537 . . . . 25.0 110.909 178.01 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -45.73 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -62.42 -43.97 97.55 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.512 176.219 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -57.19 -39.45 75.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.716 0.293 . . . . 25.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.91 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.774 -178.739 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -45.21 95.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.12 -0.326 . . . . 25.0 110.12 178.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.72 -32.3 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.743 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -58.42 -44.19 88.98 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.537 -0.727 . . . . 25.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.19 -27.34 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.089 -0.644 . . . . 25.0 110.576 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.55 -40.4 94.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 172.388 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.38 -40.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 121.261 -0.176 . . . . 25.0 110.915 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.27 -35.84 72.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.324 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.01 33.58 4.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -67.28 -21.11 65.71 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 171.966 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -128.5 4.0 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.978 0.894 . . . . 25.0 111.271 -175.283 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.24 85.62 58.01 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.47 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.9 -18.16 57.02 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 116.948 -1.568 . . . . 25.0 113.773 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.06 -43.91 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.99 -29.69 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.581 -178.163 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -62.43 -39.01 91.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.322 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.86 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.055 -0.403 . . . . 25.0 110.577 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.63 56.19 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 178.593 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.87 -50.35 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.144 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.63 93.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.34 -36.38 80.01 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.496 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 m -63.74 -44.02 94.73 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -179.523 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -62.03 -42.03 98.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.65 0.262 . . . . 25.0 110.769 179.504 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.67 -50.16 70.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 111.255 178.9 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.61 -39.02 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.433 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.21 -41.89 97.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.593 0.633 . . . . 25.0 111.972 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.7 mmtp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 121.798 -0.564 . . . . 25.0 112.095 178.03 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.447 0 N-CA-C 115.391 0.916 . . . . 25.0 115.391 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -58.35 -42.04 86.02 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.048 0.924 . . . . 25.0 110.245 178.48 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.24 -34.56 63.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 25.0 109.825 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.61 -39.6 94.77 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.619 -0.676 . . . . 25.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -12.53 61.45 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 174.254 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -99.94 -17.87 17.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.096 0.95 . . . . 25.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -84.23 80.29 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.866 -176.185 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -48.21 -30.28 4.54 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.657 2.095 . . . . 25.0 116.657 -174.101 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.85 -40.41 72.82 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.504 0.669 . . . . 25.0 111.491 174.104 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.95 -38.93 16.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.033 -178.897 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG12 ' HE3' ' A' ' 16' ' ' LYS . 47.5 t -59.2 -42.91 88.37 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-O 119.279 -0.391 . . . . 25.0 110.311 179.429 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.76 -42.65 84.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.934 0.788 . . . . 25.0 112.088 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -40.82 88.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 179.207 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.08 -23.4 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE3' HG12 ' A' ' 12' ' ' VAL . 79.4 mttt -59.88 -28.02 67.19 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 177.825 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -83.93 -50.39 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.59 170.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.1 81.23 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -175.03 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -38.35 77.44 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.121 0.486 . . . . 25.0 109.725 179.527 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.53 -34.44 65.23 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.111 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -66.63 -22.01 66.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -176.725 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -77.19 -19.76 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.72 -0.612 . . . . 25.0 109.564 176.182 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.33 78.96 Favored Glycine 0 C--O 1.238 0.374 0 CA-C-O 121.389 0.439 . . . . 25.0 113.402 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 t -93.48 122.18 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -175.691 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.37 84.34 7.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.288 -174.145 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -105.45 140.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.38 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -68.29 133.42 48.75 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.008 -1.849 . . . . 25.0 106.008 175.283 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -50.88 -50.29 57.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -177.879 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.33 70.71 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.7 -178.914 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -81.3 -28.42 34.62 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 116.723 -0.217 . . . . 25.0 111.249 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.88 -53.99 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.219 -0.992 . . . . 25.0 108.698 175.336 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.26 -19.95 65.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 179.257 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.33 -39.95 67.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.329 0.585 . . . . 25.0 110.1 172.734 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -82.16 -23.79 35.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.845 -178.237 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.11 -22.74 64.88 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 171.896 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.02 -37.65 46.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.649 0.738 . . . . 25.0 109.748 178.391 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -65.93 -33.55 76.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.123 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -37.17 84.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.853 -0.529 . . . . 25.0 110.152 179.419 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.9 -49.0 77.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -77.84 -28.91 50.27 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -118.5 84.73 24.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 121.906 -0.496 . . . . 25.0 111.909 -176.72 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.27 -16.99 39.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-O 121.324 0.468 . . . . 25.0 113.003 -179.39 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -13.06 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 177.221 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.59 -48.74 64.4 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.477 -0.765 . . . . 25.0 112.729 -178.465 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.51 -20.29 31.48 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 113.951 -3.566 . . . . 25.0 114.031 175.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -68.04 -39.7 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.901 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.95 -41.6 95.35 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 175.766 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.45 31.96 71.66 Favored Glycine 0 C--O 1.219 -0.798 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.697 176.08 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -129.24 132.41 47.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.282 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.73 99.37 8.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 123.871 1.795 . . . . 25.0 107.92 177.507 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.51 157.42 43.26 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.31 -2.223 . . . . 25.0 105.819 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.76 -28.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -172.061 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 34.7 mmtp -68.21 -35.37 77.86 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.459 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -64.68 -42.33 95.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 177.222 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -67.16 -29.77 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 26.2 mmt180 -58.72 -42.02 87.73 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 177.531 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -61.94 -30.88 71.21 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.211 -178.875 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -68.51 -40.1 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.32 0.581 . . . . 25.0 110.109 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.06 78.22 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -179.356 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.62 -37.98 85.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.75 0.786 . . . . 25.0 109.511 177.399 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -43.29 96.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.043 176.751 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -64.62 -34.08 77.44 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.916 -0.49 . . . . 25.0 110.205 178.463 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -64.45 -44.48 90.96 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 -178.785 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.81 -43.92 71.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.694 0.759 . . . . 25.0 111.004 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -63.66 -30.17 71.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -69.92 -46.02 66.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 174.849 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.93 -23.25 65.95 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 m -58.12 -44.02 87.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 -22.67 3.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.943 2.201 . . . . 25.0 116.943 -177.406 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.73 -170.33 16.0 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 -170.687 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.46 -7.42 20.91 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 116.713 1.774 . . . . 25.0 116.713 -174.163 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.56 -25.85 59.56 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 121.631 -0.668 . . . . 25.0 110.945 176.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.44 -48.62 9.44 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.044 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -124.36 130.77 24.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.94 153.51 29.13 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 115.492 -2.538 . . . . 25.0 111.791 177.474 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.06 -20.9 28.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.74 -0.6 . . . . 25.0 110.844 176.555 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -72.2 -18.08 61.88 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.657 -0.652 . . . . 25.0 111.067 177.405 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.07 79.43 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 120.206 -0.598 . . . . 25.0 109.974 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.81 -30.76 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.125 0.488 . . . . 25.0 111.115 178.417 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -70.57 -44.5 67.24 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 177.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.16 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.001 176.327 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -57.79 -39.07 76.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.323 . . . . 25.0 111.041 179.196 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.16 -25.79 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.75 -40.26 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.395 0.617 . . . . 25.0 109.529 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.62 -29.33 18.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.471 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -58.18 -52.67 64.59 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.289 -0.414 . . . . 25.0 109.947 178.042 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.44 -28.97 67.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.519 -0.472 . . . . 25.0 111.33 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -49.91 75.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.294 -0.254 . . . . 25.0 111.212 175.004 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.9 mt -76.42 -38.04 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.197 -177.278 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.09 -28.15 66.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.88 29.14 7.7 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 179.081 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -64.45 -21.8 66.77 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.164 0.507 . . . . 25.0 111.0 177.804 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.3 -41.31 96.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.67 7.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.446 0.641 . . . . 25.0 110.893 -176.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -126.58 84.35 62.74 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 178.625 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -66.99 -22.79 47.59 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 117.263 -1.358 . . . . 25.0 113.787 -177.886 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -69.23 -25.28 64.23 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 176.615 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.1 t -83.64 -44.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 176.151 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.5 ttp -62.34 -28.22 69.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -176.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.6 80.76 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.65 -0.656 . . . . 25.0 110.993 174.002 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 -33.79 58.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.659 -0.496 . . . . 25.0 109.659 178.43 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.89 -51.93 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 179.036 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.2 92.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 25.0 111.422 -178.554 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.02 -37.32 86.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.111 -0.368 . . . . 25.0 111.963 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.59 HG22 HD13 ' A' ' 110' ' ' LEU . 19.1 m -69.17 -36.03 76.93 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.791 -0.568 . . . . 25.0 110.194 -177.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.79 -38.39 81.74 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 122.085 -0.384 . . . . 25.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.51 -49.61 76.88 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.484 1.135 . . . . 25.0 109.11 176.17 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.9 -39.85 84.44 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 CA-C-N 114.145 -1.389 . . . . 25.0 110.848 -173.205 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.59 HD13 HG22 ' A' ' 106' ' ' THR . 3.2 mp -59.74 -38.26 81.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.458 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 C--N 1.326 -0.445 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.735 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.426 0 N-CA-C 114.203 0.441 . . . . 25.0 114.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.5 -20.92 64.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.616 0.722 . . . . 25.0 109.184 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.79 -52.17 52.99 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.026 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.54 -37.71 87.5 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -13.37 4.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.607 1.336 . . . . 25.0 114.607 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -97.78 -11.44 23.36 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.956 -0.465 . . . . 25.0 112.035 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 92.83 8.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -43.8 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.899 2.185 . . . . 25.0 116.899 -174.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -34.54 78.0 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.39 -0.818 . . . . 25.0 111.634 -176.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -75.44 -36.68 60.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.599 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.03 -38.23 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.022 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.93 -43.03 99.68 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.649 -0.657 . . . . 25.0 111.085 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.04 -37.57 75.62 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.747 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.69 -24.48 65.41 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.667 -0.646 . . . . 25.0 112.487 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -64.34 -34.57 78.45 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.05 -48.86 50.36 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.97 99.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -41.38 97.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.82 -38.98 61.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -64.4 -23.13 67.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -10.05 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.103 -0.373 . . . . 25.0 111.264 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.26 7.36 67.46 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.387 -0.435 . . . . 25.0 114.177 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.1 124.77 39.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.44 84.25 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.853 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -137.36 156.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.55 . . . . 25.0 109.941 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -89.09 162.61 15.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.26 -39.87 80.33 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.867 -0.521 . . . . 25.0 110.377 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.67 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.774 0.321 . . . . 25.0 110.331 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -73.39 -38.52 65.61 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.951 -0.568 . . . . 25.0 109.651 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -73.46 -53.63 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.298 0.57 . . . . 25.0 111.352 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.68 -19.98 65.34 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.134 -0.484 . . . . 25.0 112.079 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -52.31 -36.44 53.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.541 0.686 . . . . 25.0 110.825 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.41 -23.78 32.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.684 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -69.51 -30.18 67.97 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -69.47 -38.62 77.79 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.43 -38.94 92.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.531 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -65.93 -36.53 77.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 C-N-CA 119.805 -0.758 . . . . 25.0 109.875 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -66.08 -39.77 90.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.437 1.017 . . . . 25.0 110.972 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -74.55 -26.01 59.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -96.99 -31.87 12.3 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.291 0.567 . . . . 25.0 112.144 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 80.2 m -123.52 78.18 54.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 C-N-CA 123.113 0.565 . . . . 25.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.47 -14.16 30.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 CA-C-O 121.6 0.584 . . . . 25.0 112.189 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -16.21 44.5 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.239 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.24 -49.12 74.65 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.5 -0.75 . . . . 25.0 111.887 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.49 -18.46 43.46 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 113.314 -3.991 . . . . 25.0 113.634 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -70.15 -33.37 71.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 25.0 110.749 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.2 -27.14 63.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.07 26.24 41.5 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-N 115.978 -0.555 . . . . 25.0 114.108 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 55' ' ' ARG . 90.6 m -128.62 128.43 44.16 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -174.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -121.11 98.62 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 123.531 1.634 . . . . 25.0 109.657 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.19 163.87 31.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.444 -2.428 . . . . 25.0 104.444 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.53 -28.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.96 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.17 -31.09 72.15 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.79 -0.569 . . . . 25.0 110.595 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 50' ' ' THR . 31.1 mmt180 -83.99 -43.97 14.64 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.287 0.565 . . . . 25.0 109.769 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -64.63 -28.47 69.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.13 -41.75 97.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.84 -0.537 . . . . 25.0 110.569 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -58.39 -27.93 64.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.26 -39.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 25.0 109.396 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.97 -34.07 53.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.302 -0.952 . . . . 25.0 110.845 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.65 -39.29 90.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.38 -46.8 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.97 -37.21 78.94 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.425 -0.51 . . . . 25.0 110.192 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -67.66 -42.58 81.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 25.0 110.76 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.37 -49.98 74.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.879 0.847 . . . . 25.0 109.902 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -34.16 76.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.917 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -68.18 -40.65 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.631 -0.259 . . . . 25.0 111.037 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.307 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 m -77.2 -39.52 48.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.47 2.62 11.82 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -174.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.45 171.26 41.15 Favored Glycine 0 C--O 1.248 0.993 0 N-CA-C 117.464 1.746 . . . . 25.0 117.464 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.47 -17.64 38.8 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.775 2.317 . . . . 25.0 115.289 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -76.71 -18.75 58.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.977 -0.452 . . . . 25.0 110.226 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -99.08 -46.5 5.56 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.53 130.93 23.27 Favored Pre-proline 0 C--O 1.221 -0.433 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.29 153.17 12.34 Favored 'Trans proline' 0 CA--C 1.518 -0.298 0 C-N-CA 115.286 -2.676 . . . . 25.0 112.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.27 -21.4 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.897 -0.502 . . . . 25.0 110.85 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -73.57 -17.68 61.16 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.637 -0.665 . . . . 25.0 111.248 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.73 84.4 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -72.05 -31.44 66.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.196 0.522 . . . . 25.0 111.036 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -70.64 -45.99 64.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.27 -43.16 98.73 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.714 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.97 -37.48 76.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.712 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -65.13 -34.4 78.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 25.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.44 -42.09 98.66 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.002 0.43 . . . . 25.0 110.471 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.71 -31.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.782 -0.767 . . . . 25.0 109.134 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.95 -45.19 91.08 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.565 -0.709 . . . . 25.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.61 -31.62 68.65 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.152 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.94 -41.75 95.24 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 111.653 0.242 . . . . 25.0 111.653 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.0 mt -79.39 -40.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.284 -0.566 . . . . 25.0 110.419 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.2 -34.49 73.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 32.96 5.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 25.0 111.767 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -66.34 -21.82 66.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.292 0.567 . . . . 25.0 109.697 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -62.83 -22.18 66.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.93 9.67 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.423 0.63 . . . . 25.0 110.234 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.56 81.95 67.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -66.24 -19.33 56.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.764 -1.024 . . . . 25.0 113.857 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -62.55 -46.51 88.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.9 -29.41 6.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.428 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.336 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -58.65 -41.24 85.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.841 0.746 . . . . 25.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.9 74.66 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.176 -0.61 . . . . 25.0 110.25 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.77 62.99 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.12 -46.03 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.26 88.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.683 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -38.52 83.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.503 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -68.7 -39.71 80.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.565 -0.709 . . . . 25.0 109.536 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.46 -41.06 98.49 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.796 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.89 -45.89 92.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 25.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.39 -38.89 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.92 -40.48 93.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.794 -0.566 . . . . 25.0 111.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -74.48 -26.13 59.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.705 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.4 t -83.18 -21.47 33.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -104.24 -161.76 0.85 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.167 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.8 t -139.98 162.27 35.59 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.914 0.388 . . . . 25.0 110.002 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.66 -37.2 85.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.0 m -145.26 135.52 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -152.49 163.55 39.35 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 103.056 -2.942 . . . . 25.0 103.056 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.5 mt 59.21 166.4 0.06 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -75.66 71.93 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.383 0.882 . . . . 25.0 113.383 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.323 -0.992 . . . . 25.0 108.323 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.8 19.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.802 1.241 . . . . 25.0 113.89 -175.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -137.33 117.98 13.97 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.752 -0.592 . . . . 25.0 111.623 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -134.92 170.93 15.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 102.708 -3.071 . . . . 25.0 102.708 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.9 m170 62.67 -167.66 0.21 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 101.058 -3.682 . . . . 25.0 101.058 174.19 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.405 0 N-CA-C 114.009 0.363 . . . . 25.0 114.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.01 -35.14 79.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.905 0.352 . . . . 25.0 111.836 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -78.37 -33.41 48.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.414 0.626 . . . . 25.0 111.541 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.83 -39.85 95.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.292 -0.413 . . . . 25.0 111.238 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -12.59 32.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.36 -10.63 22.04 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.204 0.526 . . . . 25.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -90.52 89.23 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.07 -38.16 56.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -62.88 -31.11 72.09 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.339 -0.851 . . . . 25.0 112.486 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -78.79 -38.26 38.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.76 -37.83 61.87 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.462 -0.569 . . . . 25.0 109.462 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.55 -45.78 92.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.34 -41.28 73.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 25.0 110.169 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.26 -24.72 65.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.01 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -56.44 -44.22 80.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -75.5 -41.34 55.59 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.966 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.13 99.47 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.784 -0.573 . . . . 25.0 112.148 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.97 -42.43 94.1 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -74.99 -39.5 61.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -67.05 -26.46 66.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 117.785 0.266 . . . . 25.0 111.583 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.993 -0.283 . . . . 25.0 110.547 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 3.18 81.27 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-O 121.319 0.4 . . . . 25.0 113.21 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.48 125.84 41.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.384 -1.709 . . . . 25.0 106.384 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -83.23 84.4 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.0 0.429 . . . . 25.0 110.082 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.62 158.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -102.81 170.21 8.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 25.0 109.62 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.44 -37.6 78.54 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 110.188 -0.301 . . . . 25.0 110.188 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.57 84.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.41 . . . . 25.0 110.414 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -74.11 -43.2 58.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.872 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.99 -54.93 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.15 -20.01 65.0 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.49 -42.6 78.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.011 0.434 . . . . 25.0 110.238 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -77.07 -23.8 51.94 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.222 -0.299 . . . . 25.0 111.533 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.94 -21.87 63.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.92 -21.22 29.74 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.394 -0.816 . . . . 25.0 110.48 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -73.2 -38.34 66.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.31 -0.244 . . . . 25.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -35.11 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.135 -0.353 . . . . 25.0 110.533 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -48.08 28.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 -177.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -71.31 -33.38 69.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.404 0.621 . . . . 25.0 111.703 -176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 65.1 m -121.9 78.76 40.89 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.749 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.42 -17.13 39.28 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.427 0.511 . . . . 25.0 112.603 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -19.56 46.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.516 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -64.74 -51.56 57.14 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.611 -0.681 . . . . 25.0 111.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.92 -17.49 32.25 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 113.803 -3.664 . . . . 25.0 113.745 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.76 -39.38 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.494 0.187 . . . . 25.0 110.923 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 -28.11 62.26 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.6 17.34 48.31 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.7 m -114.18 136.01 53.41 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.6 mt -128.27 103.99 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.795 1.283 . . . . 25.0 110.849 -172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -147.9 162.25 39.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 104.167 -2.531 . . . . 25.0 104.167 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.53 -29.58 47.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.779 0.323 . . . . 25.0 110.643 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -62.13 -36.54 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 25.0 110.461 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -85.51 -38.51 18.47 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.366 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -62.44 -29.1 70.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -59.3 -41.82 89.89 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 122.175 -0.328 . . . . 25.0 111.799 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -59.8 -25.33 64.86 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.67 -40.29 79.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.526 0.679 . . . . 25.0 109.582 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.99 -36.66 64.62 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.062 -1.215 . . . . 25.0 110.062 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.12 -41.72 98.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -42.06 99.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 25.0 112.011 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.76 -38.31 90.55 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.22 -42.57 88.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.679 -0.237 . . . . 25.0 110.636 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.96 -46.5 89.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.362 0.601 . . . . 25.0 110.116 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.4 -39.23 91.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.323 0.583 . . . . 25.0 110.268 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -66.0 -38.08 87.56 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 112.221 0.452 . . . . 25.0 112.221 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -30.8 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.62 -0.832 . . . . 25.0 109.807 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.6 m -69.93 -43.09 72.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.497 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.78 6.39 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 117.549 2.426 . . . . 25.0 117.549 -170.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.48 -178.61 47.45 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 174.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.44 -12.64 27.39 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.396 2.064 . . . . 25.0 114.386 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -72.71 -30.14 63.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.225 0.536 . . . . 25.0 109.902 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -97.99 -37.84 9.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.46 130.99 24.55 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.8 Cg_endo -80.21 147.92 18.71 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 114.783 -3.011 . . . . 25.0 113.583 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.17 -21.39 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 121.835 -0.541 . . . . 25.0 111.443 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HB2' ' A' ' 76' ' ' PRO . 7.2 t -70.36 -21.06 62.93 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.592 -0.693 . . . . 25.0 111.222 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.42 82.81 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.318 -0.553 . . . . 25.0 110.48 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -72.94 -30.68 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.312 0.577 . . . . 25.0 110.873 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 t -70.23 -45.3 66.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.2 -44.6 94.89 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.497 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -56.91 -40.63 76.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.057 0.456 . . . . 25.0 111.645 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -66.22 -33.38 75.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.799 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -63.89 -47.29 81.22 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.76 -31.32 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.219 -0.926 . . . . 25.0 109.266 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.57 -42.65 88.49 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.815 -0.553 . . . . 25.0 110.606 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -27.85 60.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.878 0.763 . . . . 25.0 110.651 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.35 -45.93 85.68 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.56 -41.3 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.106 0.479 . . . . 25.0 111.108 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -115.6 29.61 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.154 0.428 . . . . 25.0 112.154 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -62.27 -25.36 67.8 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.201 0.524 . . . . 25.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -49.05 77.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.196 0.998 . . . . 25.0 113.225 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.06 6.73 6.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.413 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.93 85.79 50.51 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -66.9 -23.71 47.06 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 117.66 -1.094 . . . . 25.0 114.493 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -66.92 -28.2 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.8 -49.06 16.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 CA-C-N 115.983 -0.553 . . . . 25.0 109.968 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -39.74 75.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.97 79.44 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 120.452 -0.499 . . . . 25.0 110.404 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.1 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.679 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.18 -49.55 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.39 94.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.815 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.77 -39.77 90.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.749 0.309 . . . . 25.0 111.415 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -68.85 -38.9 80.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.052 -0.659 . . . . 25.0 109.235 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.45 -42.05 95.35 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.342 -0.543 . . . . 25.0 111.119 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -59.04 -47.31 85.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.375 0.607 . . . . 25.0 110.353 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -38.49 82.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.568 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.11 -39.78 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.224 -0.298 . . . . 25.0 111.501 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.979 0.419 . . . . 25.0 110.176 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -68.59 -20.4 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.327 0.491 . . . . 25.0 112.327 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m 47.11 50.21 14.33 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.763 1.764 . . . . 25.0 115.763 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -88.5 2.45 52.86 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.073 0.463 . . . . 25.0 111.25 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 140.22 58.75 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 51.09 -154.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 124.39 1.056 . . . . 25.0 111.43 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.4 mt 55.04 -138.37 1.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 120' ' ' HIS . 1.7 tm-20 -140.44 177.45 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 103.454 -2.795 . . . . 25.0 103.454 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.535 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 1.2 t60 66.6 36.26 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.65 0.78 . . . . 25.0 111.822 172.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.41 2.24 0.43 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.703 1.742 . . . . 25.0 115.703 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -146.61 150.74 36.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t60 61.29 105.66 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.729 1.212 . . . . 25.0 111.348 -172.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -65.4 132.38 48.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 116.172 -1.87 . . . . 25.0 112.759 -179.02 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 N-CA-C 111.706 -0.558 . . . . 25.0 111.706 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.998 0.399 . . . . 25.0 110.991 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.44 -24.14 53.93 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.231 -0.587 . . . . 25.0 110.826 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.47 -0.769 . . . . 25.0 111.065 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -10.31 47.05 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -107.15 -15.82 14.57 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.507 0.67 . . . . 25.0 109.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -82.13 86.18 6.66 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 105.673 -1.973 . . . . 25.0 105.673 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.73 -35.02 55.18 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 114.969 1.47 . . . . 25.0 114.969 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.29 -37.48 83.37 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.531 0.605 . . . . 25.0 112.017 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -75.64 -36.48 60.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.587 -0.696 . . . . 25.0 109.269 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.8 t -59.04 -40.53 80.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.9 -45.58 89.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.263 0.483 . . . . 25.0 112.066 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.26 -39.78 95.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.362 -0.535 . . . . 25.0 109.579 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.01 -23.55 64.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -58.15 -40.56 81.71 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.87 -39.25 20.12 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.617 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.99 83.79 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.41 -40.8 96.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.826 -1.175 . . . . 25.0 107.826 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.51 -45.05 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 25.0 113.013 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 p -69.22 -20.12 63.96 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.328 -0.232 . . . . 25.0 111.363 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -23.44 61.28 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 10.03 79.46 Favored Glycine 0 CA--C 1.516 0.105 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.363 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.48 122.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.13 84.62 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.38 141.62 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -75.26 145.08 42.18 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -52.08 64.67 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 25.0 111.297 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -84.68 -34.71 22.93 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 122.202 -0.311 . . . . 25.0 111.085 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.01 -51.8 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.449 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.01 -19.82 47.22 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -53.57 -45.16 69.81 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.478 0.656 . . . . 25.0 109.616 171.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -75.53 -23.94 56.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.434 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.43 -23.85 62.8 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.99 -27.34 26.53 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.595 -0.691 . . . . 25.0 110.438 174.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -67.47 -33.85 75.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -30.64 49.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.607 -0.683 . . . . 25.0 109.912 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -60.12 -38.2 82.29 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.154 -0.341 . . . . 25.0 111.598 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -64.01 -51.74 62.81 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.358 0.599 . . . . 25.0 111.321 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -81.88 -26.46 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.41 74.11 80.0 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 112.395 0.516 . . . . 25.0 112.395 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.22 -12.47 30.07 Favored 'Trans proline' 0 C--N 1.345 0.347 0 CA-C-O 121.919 0.716 . . . . 25.0 111.881 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -11.27 53.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.401 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.82 -50.33 64.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 O-C-N 121.728 -0.608 . . . . 25.0 111.723 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.46 -22.61 44.89 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 113.626 -3.783 . . . . 25.0 113.993 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.246 -0.283 . . . . 25.0 111.606 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -65.94 -29.92 70.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 25.0 110.668 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.99 29.11 73.31 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -146.66 139.66 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -125.06 112.3 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.474 1.13 . . . . 25.0 110.178 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.59 161.28 42.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.18 -31.8 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.804 -0.18 . . . . 25.0 111.196 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -67.42 -31.44 71.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.979 -0.45 . . . . 25.0 110.701 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -80.42 -36.66 33.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -62.68 -25.76 68.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -52.8 -47.24 67.74 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.42 -30.23 62.55 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -39.32 81.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.358 0.599 . . . . 25.0 109.816 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.06 -35.7 53.11 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.448 -1.061 . . . . 25.0 110.448 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.95 -39.82 95.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -45.73 88.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.522 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.25 -33.27 74.28 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.615 -0.434 . . . . 25.0 109.996 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.97 -41.82 90.67 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.141 -0.224 . . . . 25.0 110.74 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.53 -33.29 60.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.677 0.751 . . . . 25.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.55 91.71 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -69.44 -38.85 78.01 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.851 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.953 -0.467 . . . . 25.0 110.754 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -71.75 -42.14 67.58 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.34 3.32 9.74 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.961 1.838 . . . . 25.0 115.961 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.43 -176.9 54.05 Favored Glycine 0 C--O 1.242 0.638 0 N-CA-C 115.428 0.931 . . . . 25.0 115.428 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.28 -9.38 24.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.744 2.296 . . . . 25.0 115.306 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -78.7 -32.07 46.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 25.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -88.18 -40.51 13.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.66 -0.245 . . . . 25.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.51 130.95 24.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.33 154.46 18.75 Favored 'Trans proline' 0 CA--C 1.519 -0.245 0 C-N-CA 115.571 -2.486 . . . . 25.0 112.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.08 -20.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.788 -0.57 . . . . 25.0 110.335 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -74.08 -17.28 60.98 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 121.724 -0.61 . . . . 25.0 111.151 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.13 81.66 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -71.28 -31.46 67.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.088 0.471 . . . . 25.0 111.387 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -71.84 -45.57 60.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -63.03 -42.03 99.68 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.563 -0.744 . . . . 25.0 109.542 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.8 -39.95 90.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.834 0.35 . . . . 25.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.37 -28.38 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 25.0 111.604 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.8 -46.01 83.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.5 -30.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.51 -48.04 83.19 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.739 -0.601 . . . . 25.0 110.149 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.41 -22.46 61.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.908 0.776 . . . . 25.0 110.771 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.5 tp -75.75 -42.59 50.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.039 0.535 . . . . 25.0 111.293 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.9 -37.77 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.61 -31.32 66.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.259 0.552 . . . . 25.0 111.622 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -108.29 21.21 17.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.55 -23.0 66.75 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.16 -31.61 72.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -110.4 9.41 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.716 0.769 . . . . 25.0 109.955 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -124.96 80.43 63.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.58 -17.35 56.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 117.075 -1.483 . . . . 25.0 113.308 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.23 -43.11 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.78 -28.47 6.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 C-N-CA 119.883 -0.727 . . . . 25.0 111.364 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -36.95 81.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.427 -0.796 . . . . 25.0 110.53 -177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.68 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.145 0.498 . . . . 25.0 110.757 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.12 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.38 -49.66 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.51 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.465 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -39.45 93.56 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.618 -0.433 . . . . 25.0 111.821 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 m -69.98 -36.27 75.05 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.383 -0.927 . . . . 25.0 108.715 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -59.58 -38.53 81.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.147 0.431 . . . . 25.0 111.594 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.89 -44.2 97.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.918 0.866 . . . . 25.0 109.493 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.31 -31.72 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.65 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.56 -37.5 87.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.651 -0.656 . . . . 25.0 110.293 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.39 -26.37 66.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 120.743 -0.383 . . . . 25.0 110.508 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.8 t -79.7 -22.11 43.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.769 0.319 . . . . 25.0 111.094 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -33.89 19.59 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.99 0.424 . . . . 25.0 110.586 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -74.19 129.15 37.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.11 5.72 7.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 -173.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.06 38.19 0.21 Allowed 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -174.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.97 7.12 0.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 126.345 1.858 . . . . 25.0 114.781 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.88 143.21 56.99 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.463 -0.773 . . . . 25.0 109.083 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 64.06 -18.38 0.07 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.97 1.841 . . . . 25.0 115.97 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -64.36 -17.46 63.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.687 0.756 . . . . 25.0 110.581 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -150.14 166.36 30.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 104.929 -2.248 . . . . 25.0 104.929 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.68 153.97 34.34 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.336 0.516 . . . . 25.0 109.757 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -156.11 151.35 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 105.82 -1.919 . . . . 25.0 105.82 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.42 158.78 35.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.259 1.602 1 N-CA-C 100.145 -4.02 . . . . 25.0 100.145 166.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.431 0 N-CA-C 110.358 -1.097 . . . . 25.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -65.95 -35.98 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.51 -44.44 90.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.381 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -64.89 -40.75 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.242 -0.286 . . . . 25.0 111.261 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -61.17 -20.08 62.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -99.68 -14.95 18.7 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.365 0.603 . . . . 25.0 110.794 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -84.74 90.63 7.77 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.82 -35.39 32.05 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 114.798 1.407 . . . . 25.0 114.798 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.85 -30.99 71.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.035 0.834 . . . . 25.0 113.019 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -70.56 -43.21 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.11 -35.47 68.92 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-N 114.93 -1.032 . . . . 25.0 110.025 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -54.69 -49.59 70.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.225 0.92 . . . . 25.0 111.603 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -68.45 -39.73 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.202 0.525 . . . . 25.0 110.449 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -23.82 64.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -62.01 -44.41 96.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -74.97 -35.04 62.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.595 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.12 79.39 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.37 -42.21 99.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.48 -48.44 75.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.57 -20.24 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.155 -0.341 . . . . 25.0 111.795 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -75.92 -22.74 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 16.73 79.03 Favored Glycine 0 N--CA 1.455 -0.083 0 N-CA-C 111.844 -0.502 . . . . 25.0 111.844 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.16 115.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.153 0.978 . . . . 25.0 109.302 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -81.69 84.28 6.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 25.0 108.994 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.12 150.05 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.73 142.45 46.32 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -48.06 79.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.35 71.12 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.801 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -74.35 -41.24 61.38 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -51.37 62.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.364 -0.934 . . . . 25.0 109.829 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.98 -19.99 64.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -63.9 -32.08 73.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.372 -0.83 . . . . 25.0 110.255 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -78.03 -23.82 48.04 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.326 -0.859 . . . . 25.0 111.037 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.01 -21.91 62.23 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 171.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.91 -34.95 22.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.523 0.677 . . . . 25.0 110.874 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.15 -34.05 75.66 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -33.34 56.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 O-C-N 122.192 -0.317 . . . . 25.0 110.695 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -61.01 -34.32 74.64 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.77 -51.15 20.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.952 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -64.58 -38.47 91.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.873 0.844 . . . . 25.0 110.827 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.71 80.95 40.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.077 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -69.75 -14.3 35.91 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 CA-C-O 121.728 0.637 . . . . 25.0 112.216 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.57 -15.39 37.54 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.78 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.89 -47.03 75.31 Favored Pre-proline 0 N--CA 1.471 0.598 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.18 -24.31 44.48 Favored 'Trans proline' 0 C--N 1.355 0.894 1 C-N-CA 112.807 -4.328 . . . . 25.0 113.369 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -15.53 62.34 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.24 -24.57 64.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.61 17.6 20.72 Favored Glycine 0 C--O 1.223 -0.557 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.3 m -139.81 139.0 36.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -111.7 115.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.491 1.139 . . . . 25.0 108.931 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -152.16 156.72 40.37 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 tp -66.3 -29.61 47.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.589 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -66.03 -36.38 83.11 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.672 -0.642 . . . . 25.0 109.38 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -78.37 -37.31 44.49 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.434 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -66.59 -29.49 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 25.0 111.925 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.76 -40.06 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.805 -0.559 . . . . 25.0 110.855 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -54.96 -32.81 61.79 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.06 -39.05 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.301 0.572 . . . . 25.0 109.993 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.9 -37.95 75.05 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -62.18 -40.16 95.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -41.0 94.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.376 -0.829 . . . . 25.0 112.363 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.65 -36.06 82.59 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.69 -43.15 94.45 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.6 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.865 0.84 . . . . 25.0 111.104 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -36.74 84.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.24 -0.891 . . . . 25.0 109.53 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.62 -41.71 71.88 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.869 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.42 -33.78 75.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.897 -0.502 . . . . 25.0 110.775 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.3 m -76.58 -40.74 48.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.35 2.41 10.8 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.918 1.822 . . . . 25.0 115.918 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.7 -176.23 53.86 Favored Glycine 0 C--O 1.244 0.74 0 N-CA-C 114.948 0.739 . . . . 25.0 114.948 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.86 -13.0 31.6 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.388 1.392 . . . . 25.0 113.697 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.277 0.561 . . . . 25.0 110.416 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -101.34 -35.23 9.3 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.013 0.745 . . . . 25.0 113.013 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.15 130.81 23.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -81.39 154.33 18.57 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.648 -2.435 . . . . 25.0 111.539 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.02 -20.46 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.608 -0.682 . . . . 25.0 110.784 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -73.71 -19.34 60.84 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.662 -0.649 . . . . 25.0 111.213 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.89 80.97 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.707 -0.62 . . . . 25.0 109.802 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.55 -30.73 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.559 . . . . 25.0 110.868 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -73.76 -45.16 53.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.12 -45.83 91.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.257 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.84 -40.46 80.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.822 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -63.63 -30.86 71.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.213 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.09 -43.3 82.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.373 0.606 . . . . 25.0 109.411 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.73 -29.99 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.704 -0.623 . . . . 25.0 109.664 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -58.92 -47.01 86.57 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.93 -27.87 62.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.96 -0.696 . . . . 25.0 110.982 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.03 -40.95 97.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.96 -0.462 . . . . 25.0 111.196 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.74 -40.72 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.538 -0.465 . . . . 25.0 109.844 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.75 -31.25 70.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.949 0.404 . . . . 25.0 110.693 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -116.09 31.94 6.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.73 -18.91 65.66 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.538 0.685 . . . . 25.0 109.811 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.79 -31.74 71.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.026 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.6 8.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.547 0.689 . . . . 25.0 110.225 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -125.93 82.83 63.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.83 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.49 -18.69 38.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.623 -1.118 . . . . 25.0 113.81 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -64.37 -44.75 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.86 -25.32 6.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.986 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -35.81 78.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.638 -0.664 . . . . 25.0 110.37 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.54 74.13 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 122.044 -0.41 . . . . 25.0 110.887 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.74 -31.66 52.25 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.058 -0.401 . . . . 25.0 109.994 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -47.3 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.32 83.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 25.0 110.94 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.67 -36.68 83.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 25.0 111.968 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -60.51 -45.0 95.42 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -58.75 -46.33 87.68 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -65.56 -36.73 84.64 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.838 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.9 mt -69.37 -37.71 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.18 -39.03 92.34 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.032 -0.417 . . . . 25.0 111.17 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -66.6 -28.44 68.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.944 0.402 . . . . 25.0 110.677 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 t -83.58 -23.15 32.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.66 125.09 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 -175.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 p -151.76 175.46 12.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 54.9 40.09 31.83 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.112 0.958 . . . . 25.0 110.016 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -149.66 121.65 8.23 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.42 110.12 4.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.932 -1.031 . . . . 25.0 108.571 -171.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.86 143.05 40.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.67 154.24 42.58 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.899 -1.148 . . . . 25.0 107.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -131.18 -49.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -159.72 141.28 12.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.82 139.13 58.69 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.92 152.37 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 -172.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -79.91 42.34 0.54 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.053 0.388 . . . . 25.0 111.459 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.7 m80 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 -160.822 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.163 0 N-CA-C 111.99 -0.444 . . . . 25.0 111.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -62.2 -35.55 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.453 0.168 . . . . 25.0 111.453 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -32.8 21.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.106 -0.371 . . . . 25.0 110.239 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.86 -38.45 90.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.762 -0.586 . . . . 25.0 110.654 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -58.53 -18.69 31.45 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.433 1.642 . . . . 25.0 115.433 173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.28 3.1 12.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.478 0.581 . . . . 25.0 110.939 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.2 76.73 9.85 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 104.077 -2.564 . . . . 25.0 104.077 171.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.74 -28.92 6.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -168.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -71.03 -34.07 70.92 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.543 -0.723 . . . . 25.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -73.14 -39.33 65.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.75 -37.07 63.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.25 -47.28 84.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -70.69 -30.29 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.525 -0.735 . . . . 25.0 110.221 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.22 -23.5 62.94 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.089 -0.382 . . . . 25.0 111.556 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.63 -40.49 97.01 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.52 -46.8 68.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.87 97.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.387 0.884 . . . . 25.0 113.387 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.14 -40.09 96.56 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -67.99 -44.69 76.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -69.08 -20.86 64.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.657 0.984 . . . . 25.0 113.657 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.7 tpt85 -75.08 -17.73 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.215 -0.594 . . . . 25.0 109.402 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.49 8.51 86.94 Favored Glycine 0 C--O 1.227 -0.297 0 CA-C-N 116.272 -0.422 . . . . 25.0 113.059 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -111.51 119.65 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -80.71 84.77 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.412 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -101.17 141.34 17.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.8 137.04 55.07 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -47.04 74.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.6 75.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.022 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.41 -36.76 71.45 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.344 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -53.03 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.515 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.82 -20.65 63.87 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -60.81 -35.65 77.04 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.707 -0.621 . . . . 25.0 109.977 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -76.81 -23.9 52.81 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.526 -0.734 . . . . 25.0 111.294 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.54 -20.34 62.04 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.79 -36.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -66.9 -34.31 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -38.17 80.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -39.93 87.12 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.882 -0.511 . . . . 25.0 110.922 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.06 -42.55 99.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.237 0.541 . . . . 25.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 m -79.41 -35.04 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.402 0.62 . . . . 25.0 111.523 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HG ' ' CB ' ' A' ' 62' ' ' CYS . 6.6 m -120.88 85.94 40.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 122.946 0.498 . . . . 25.0 111.097 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -70.28 -15.37 35.11 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 117.813 -0.991 . . . . 25.0 113.015 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.17 -14.16 44.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.377 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.77 -48.36 52.84 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.121 -0.987 . . . . 25.0 112.018 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.71 -22.69 31.97 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 114.245 -3.37 . . . . 25.0 113.343 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.13 -33.94 76.91 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.895 0.478 . . . . 25.0 111.342 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.04 -29.72 70.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 25.0 110.705 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.97 16.96 42.21 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.427 -0.351 . . . . 25.0 113.788 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -128.82 132.06 47.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -173.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.65 110.53 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 CA-C-O 122.857 1.313 . . . . 25.0 107.521 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.23 159.39 44.41 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.049 -1.432 . . . . 25.0 108.882 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.79 -32.37 56.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.789 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 48.1 mtmt -68.67 -36.89 79.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.868 -0.52 . . . . 25.0 109.684 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -73.44 -33.22 64.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -65.72 -29.96 70.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.345 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 23.4 mmt180 -58.44 -43.7 88.86 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -65.69 -24.97 67.12 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.79 -37.02 78.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.037 -1.098 . . . . 25.0 108.037 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -37.25 67.33 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.137 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.31 -43.83 92.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -61.99 -45.72 92.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.311 -0.859 . . . . 25.0 112.245 -179.155 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.56 -38.11 89.89 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.927 -0.709 . . . . 25.0 109.499 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.9 -47.71 76.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.886 0.374 . . . . 25.0 110.332 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.79 -41.02 88.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.92 0.391 . . . . 25.0 110.283 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.14 -38.4 88.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.221 -0.299 . . . . 25.0 110.67 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -69.51 -32.64 71.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 25.0 110.795 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -78.88 -41.02 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.5 1.77 11.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.55 177.2 46.29 Favored Glycine 0 C--O 1.242 0.641 0 N-CA-C 116.248 1.259 . . . . 25.0 116.248 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.73 -11.03 25.69 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.725 2.283 . . . . 25.0 114.46 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.53 -34.08 54.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.936 0.398 . . . . 25.0 110.177 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.99 -41.62 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.276 . . . . 25.0 111.035 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.0 t -114.82 130.85 23.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.73 153.38 15.19 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 115.485 -2.543 . . . . 25.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.33 -20.23 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.301 0.572 . . . . 25.0 110.332 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -73.4 -16.79 61.32 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 121.721 -0.612 . . . . 25.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.98 83.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.65 -32.41 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 25.0 111.158 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -70.09 -45.51 66.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.69 -40.85 97.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.336 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -58.91 -41.54 87.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 25.0 110.749 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -65.22 -28.68 69.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.814 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tt -65.35 -42.2 93.06 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 120.707 0.289 . . . . 25.0 110.264 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.55 -30.1 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 121.539 -0.725 . . . . 25.0 109.137 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -55.77 -50.79 69.47 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.82 -26.89 65.41 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.844 -0.342 . . . . 25.0 111.193 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.29 -36.68 69.02 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.622 -0.228 . . . . 25.0 111.35 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.15 -40.42 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.98 -37.07 73.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.075 0.464 . . . . 25.0 110.266 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -115.54 34.99 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 25.0 112.072 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -65.07 -21.26 66.79 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.037 0.446 . . . . 25.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.26 -34.67 76.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.67 6.85 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.61 0.719 . . . . 25.0 109.944 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -125.87 77.95 70.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.47 -21.62 53.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.229 -1.38 . . . . 25.0 114.26 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.91 -37.6 84.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.099 -0.376 . . . . 25.0 110.376 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.9 -27.83 6.65 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 119.858 -0.737 . . . . 25.0 110.094 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.13 -38.13 85.27 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.33 71.43 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.657 -0.652 . . . . 25.0 110.851 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.41 53.07 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 122.082 -0.386 . . . . 25.0 110.092 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.05 -53.1 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.68 98.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.078 0.466 . . . . 25.0 111.63 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.22 -45.56 91.07 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.89 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.7 m -59.35 -40.82 87.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.052 -0.351 . . . . 25.0 110.052 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.15 -53.35 59.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.23 -29.48 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.25 -42.29 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.63 -37.76 87.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -56.41 -44.41 80.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.113 0.482 . . . . 25.0 110.1 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -73.02 -41.6 64.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.507 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -66.91 -23.84 66.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.6 m -68.27 0.49 3.76 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.313 1.227 . . . . 25.0 114.313 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.31 2.34 18.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.295 -0.411 . . . . 25.0 112.055 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 p -107.78 95.54 5.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.19 61.26 3.26 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.741 -1.118 . . . . 25.0 110.167 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.47 -16.82 12.81 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -172.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -88.91 105.17 17.58 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 114.723 -1.126 . . . . 25.0 111.857 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -133.46 88.28 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.32 0.581 . . . . 25.0 112.407 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 53.16 46.31 26.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 174.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.76 132.13 43.66 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 105.684 -1.969 . . . . 25.0 105.684 174.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -103.46 -8.74 19.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -175.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -150.62 165.68 32.61 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 103.697 -2.705 . . . . 25.0 103.697 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 116.669 -1.634 . . . . 25.0 106.675 177.065 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.486 0 N-CA-C 111.35 -0.7 . . . . 25.0 111.35 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.74 -37.61 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -82.58 -22.45 34.85 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.06 -0.656 . . . . 25.0 110.817 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.42 -35.64 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -19.11 65.72 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.61 -17.08 20.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.48 0.657 . . . . 25.0 110.824 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -82.41 85.39 6.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.3 -30.96 19.79 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 116.76 2.133 . . . . 25.0 116.76 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.49 -28.77 59.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.623 -0.673 . . . . 25.0 111.685 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -75.15 -42.51 55.91 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.34 -36.14 57.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.476 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.03 -49.01 74.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.771 -0.581 . . . . 25.0 112.221 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.72 -37.94 67.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 25.0 110.847 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.37 -24.96 66.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -58.37 -44.13 88.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.94 -38.92 57.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.918 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.73 90.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.34 -42.89 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.096 0.474 . . . . 25.0 110.281 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.37 -45.42 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -70.88 -14.08 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.768 0.318 . . . . 25.0 111.536 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.57 -21.25 61.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 25.0 110.337 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.23 12.47 84.3 Favored Glycine 0 C--O 1.227 -0.294 0 CA-C-N 116.341 -0.39 . . . . 25.0 113.083 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.0 123.02 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -83.11 84.35 7.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 25.0 111.732 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 m -120.25 147.03 24.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -85.45 158.82 20.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -41.26 76.88 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.722 -0.217 . . . . 25.0 111.115 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.76 74.77 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.54 -45.09 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 25.0 109.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.48 -50.52 67.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 25.0 110.463 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -20.01 64.5 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -63.19 -34.7 78.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.656 -0.653 . . . . 25.0 110.074 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.74 -23.25 39.56 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.899 -0.5 . . . . 25.0 111.567 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.69 -18.5 62.16 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.35 -36.17 22.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.661 0.743 . . . . 25.0 109.064 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.32 -34.46 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 C-N-CA 120.094 -0.642 . . . . 25.0 109.903 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -64.24 -38.82 92.39 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.822 -0.548 . . . . 25.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 -51.42 64.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.754 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -78.41 -27.53 46.68 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 m -121.33 80.07 36.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.04 -17.26 40.92 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 118.209 -0.728 . . . . 25.0 112.899 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -13.01 59.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -67.41 -50.47 37.8 Favored Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.197 -0.94 . . . . 25.0 112.43 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.92 -21.31 37.69 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 113.897 -3.602 . . . . 25.0 113.289 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.21 -33.71 76.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.379 0.272 . . . . 25.0 111.188 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.57 -24.63 62.81 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.183 -0.323 . . . . 25.0 110.849 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 22.04 49.8 Favored Glycine 0 C--O 1.224 -0.488 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.479 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 17.1 m -133.13 133.47 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.635 0.718 . . . . 25.0 111.065 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.76 103.5 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-O 123.31 1.529 . . . . 25.0 109.474 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -153.09 162.72 40.98 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.308 -1.769 . . . . 25.0 108.765 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -64.4 -28.03 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.434 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -62.54 -33.5 75.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.689 -0.632 . . . . 25.0 111.17 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 3.6 mpt_? -85.29 -42.59 14.48 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.643 -0.502 . . . . 25.0 109.643 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -63.56 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -59.86 -45.81 91.29 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.965 -0.459 . . . . 25.0 110.394 176.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -61.89 -25.63 67.67 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.05 -41.8 87.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.453 0.644 . . . . 25.0 109.274 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.62 -35.13 55.84 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.311 -0.947 . . . . 25.0 110.936 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.27 -38.11 89.87 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.36 -43.92 96.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 111.615 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -63.17 -38.07 89.73 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -67.6 -41.1 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.175 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.09 -47.06 86.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.414 0.626 . . . . 25.0 109.812 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.89 -35.58 80.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.107 0.479 . . . . 25.0 111.035 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -68.19 -40.73 82.14 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -31.62 70.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.174 -0.954 . . . . 25.0 110.492 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -63.95 -44.27 93.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -127.32 5.04 6.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.365 1.987 . . . . 25.0 116.365 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.9 -166.27 50.16 Favored Glycine 0 C--O 1.242 0.656 0 O-C-N 121.421 -0.799 . . . . 25.0 113.41 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.09 -5.65 17.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.806 1.67 . . . . 25.0 113.951 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -74.32 -16.91 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.982 0.42 . . . . 25.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.31 -41.26 7.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.28 130.91 23.11 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.52 144.63 50.53 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.015 -2.857 . . . . 25.0 111.936 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.99 -21.58 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 121.991 -0.443 . . . . 25.0 111.677 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -74.37 -19.85 60.29 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.602 -0.686 . . . . 25.0 111.351 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.29 78.87 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.729 -0.607 . . . . 25.0 109.874 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -71.14 -29.77 65.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.106 0.479 . . . . 25.0 111.537 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -73.02 -44.76 60.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.33 -44.58 96.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.227 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.62 -40.65 88.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.32 -27.93 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 110.182 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.86 -30.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.221 0.534 . . . . 25.0 109.807 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -52.88 -52.02 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.197 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.95 -28.46 65.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.528 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.04 -40.96 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.963 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.3 -40.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.64 -35.05 73.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -114.54 38.09 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -59.34 -25.61 64.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.215 0.531 . . . . 25.0 110.208 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.49 -29.87 69.34 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.9 m -119.59 11.1 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.56 0.695 . . . . 25.0 110.172 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -122.84 77.77 49.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.36 -19.8 49.29 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 117.053 -1.498 . . . . 25.0 113.361 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.47 -42.65 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.01 -25.06 6.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.62 -38.9 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.994 -0.441 . . . . 25.0 110.511 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.27 72.39 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.478 -0.764 . . . . 25.0 110.981 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.75 -30.73 59.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.513 -0.312 . . . . 25.0 110.334 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.42 -50.01 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.65 88.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.995 0.426 . . . . 25.0 111.269 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.32 -39.63 95.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.357 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -65.89 -42.98 89.57 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -57.02 -44.44 82.87 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.798 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.89 -38.99 93.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.466 0.651 . . . . 25.0 111.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.24 -37.5 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.05 -40.64 96.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.923 -0.486 . . . . 25.0 110.654 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -58.38 -44.62 88.97 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.57 0.623 . . . . 25.0 109.845 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.2 t -65.45 -29.54 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -113.7 34.35 4.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.388 0.614 . . . . 25.0 111.724 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -114.93 -177.66 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.54 21.3 5.56 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.136 0.975 . . . . 25.0 113.296 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.89 31.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.498 1.142 . . . . 25.0 110.832 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.83 42.65 0.64 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.833 -1.53 . . . . 25.0 110.848 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.72 135.16 48.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.529 . . . . 25.0 111.165 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -134.42 139.66 45.72 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -129.75 38.45 3.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.994 0.426 . . . . 25.0 111.575 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.93 108.48 1.8 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.99 0.424 . . . . 25.0 111.141 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -64.85 -23.39 67.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.236 0.541 . . . . 25.0 112.067 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -134.21 155.27 50.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.18 -2.526 . . . . 25.0 104.18 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -71.9 136.1 46.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 104.622 -2.362 . . . . 25.0 104.622 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.256 1.425 0 CA-C-O 117.156 -1.402 . . . . 25.0 108.944 -172.224 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.188 0 N-CA-C 111.281 -0.728 . . . . 25.0 111.281 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -69.37 -32.87 72.19 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.218 -0.577 . . . . 25.0 111.735 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.76 -26.64 25.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.491 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.49 -39.01 93.31 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.8 -0.563 . . . . 25.0 110.009 174.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -59.02 -19.33 42.76 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.64 -13.92 23.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.822 0.283 . . . . 25.0 111.431 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -87.32 93.95 9.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.18 -30.96 62.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -69.25 -37.66 78.05 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.802 -0.561 . . . . 25.0 111.591 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -69.78 -42.78 73.34 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -57.31 -34.99 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.932 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -54.67 -49.91 69.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.746 1.157 . . . . 25.0 112.687 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -71.22 -37.06 72.07 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.363 -0.535 . . . . 25.0 109.904 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.53 -28.72 69.84 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -54.64 -45.29 73.75 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.94 -38.91 20.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.735 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.15 80.49 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -38.3 82.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.337 0.589 . . . . 25.0 109.815 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -73.68 -28.94 62.01 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -63.19 -22.61 66.98 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.349 0.522 . . . . 25.0 112.151 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -16.75 34.27 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.24 -1.3 50.2 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.609 -0.329 . . . . 25.0 113.357 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.2 t -80.27 118.58 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -83.55 84.3 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.575 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.12 154.57 37.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.897 -1.89 . . . . 25.0 105.897 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -87.45 164.18 16.32 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.33 -39.51 83.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.74 67.62 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.528 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -86.03 -45.87 11.04 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.252 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -50.83 28.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.97 -24.82 67.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.214 -0.594 . . . . 25.0 112.072 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.35 -39.26 89.94 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.921 -0.487 . . . . 25.0 110.773 173.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.05 -23.85 43.99 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.721 -0.612 . . . . 25.0 111.933 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -66.3 -34.11 77.26 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -35.87 80.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.204 0.525 . . . . 25.0 109.902 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -28.42 36.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 119.664 -0.814 . . . . 25.0 109.657 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -69.72 -38.15 76.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.07 -49.57 64.66 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.197 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -70.11 -34.03 72.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.393 0.616 . . . . 25.0 112.235 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.18 79.62 72.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.693 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.66 -18.07 42.59 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.482 -0.545 . . . . 25.0 112.961 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -15.31 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.619 0.6 . . . . 25.0 112.619 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.92 -51.16 15.42 Favored Pre-proline 0 CA--C 1.541 0.616 0 O-C-N 121.476 -0.765 . . . . 25.0 112.436 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -69.62 -20.81 35.03 Favored 'Trans proline' 0 C--N 1.356 0.957 1 C-N-CA 113.091 -4.139 . . . . 25.0 112.954 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.42 -38.42 89.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.209 0.204 . . . . 25.0 111.359 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' HE ' ' A' ' 55' ' ' ARG . 20.5 pt-20 -86.58 -26.02 24.68 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.831 -0.543 . . . . 25.0 110.366 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.42 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 55.5 29.75 54.29 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.64 1.416 . . . . 25.0 116.64 172.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -121.11 130.9 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.79 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 123.969 1.842 . . . . 25.0 109.805 -172.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -98.55 151.84 20.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.06 -29.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -67.55 -34.06 76.29 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.235 -0.291 . . . . 25.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 48' ' ' GLU . 21.2 mtt85 -77.76 -35.27 51.88 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -61.65 -28.36 69.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.469 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -57.3 -45.32 84.26 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -63.47 -26.75 68.87 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.61 -38.42 80.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.88 56.85 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.454 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.75 -39.4 91.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.55 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.682 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.8 -37.6 84.99 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.191 -0.604 . . . . 25.0 109.428 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -67.93 -42.54 80.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.643 0.238 . . . . 25.0 111.643 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.13 -48.99 79.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.071 0.938 . . . . 25.0 109.316 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.51 97.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.491 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.85 -44.18 77.77 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.348 0.87 . . . . 25.0 113.348 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.11 70.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.707 -0.621 . . . . 25.0 112.086 -172.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.7 m -66.13 -42.25 89.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -127.27 2.17 6.38 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.437 2.014 . . . . 25.0 116.437 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 -165.63 53.2 Favored Glycine 0 C--O 1.244 0.72 0 C-N-CA 120.585 -0.817 . . . . 25.0 114.853 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.63 -11.49 29.79 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 121.899 1.733 . . . . 25.0 115.473 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -75.89 -22.84 55.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 25.0 111.099 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -99.61 -42.33 6.94 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.81 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -76.11 150.07 33.08 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 114.45 -3.233 . . . . 25.0 112.763 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.35 -20.54 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.274 0.559 . . . . 25.0 110.795 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -74.34 -17.74 60.79 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.704 -0.623 . . . . 25.0 111.18 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.98 78.12 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 120.316 -0.554 . . . . 25.0 109.531 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -70.62 -30.8 67.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.509 . . . . 25.0 111.413 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -73.46 -43.42 60.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.18 -43.81 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.218 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -59.59 -39.11 83.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.556 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.17 -26.15 67.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.889 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.94 -45.88 76.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.42 -30.28 22.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.313 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -53.96 -52.38 60.88 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -71.57 -25.64 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.789 -0.765 . . . . 25.0 111.825 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.1 -42.43 89.3 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.093 -0.379 . . . . 25.0 111.703 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.2 mt -78.37 -40.72 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.96 -35.35 74.77 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.93 0.395 . . . . 25.0 110.367 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -113.98 34.2 4.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -62.42 -23.2 66.73 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.409 0.623 . . . . 25.0 109.715 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.3 -29.38 69.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.0 7.67 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.296 0.57 . . . . 25.0 110.632 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -125.82 77.86 69.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.318 -0.993 . . . . 25.0 108.318 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.7 -22.66 37.11 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.1 -1.467 . . . . 25.0 114.859 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.09 -39.63 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.207 0.527 . . . . 25.0 109.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.89 -25.69 6.89 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.03 -0.532 . . . . 25.0 109.657 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.19 -37.95 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 25.0 110.387 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.249 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.8 -32.07 59.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.73 -49.74 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.6 98.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.371 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -62.79 -36.78 84.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.961 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -67.37 -35.56 79.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.64 -43.4 98.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.982 -0.449 . . . . 25.0 110.444 175.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.9 -44.18 97.33 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.168 0.508 . . . . 25.0 110.973 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.84 -36.42 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.02 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.59 -38.18 83.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.904 -0.497 . . . . 25.0 111.634 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.42 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 26.9 mmtp -68.06 -25.26 65.26 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.748 -0.595 . . . . 25.0 111.861 174.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -83.49 -12.2 56.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.12 132.99 48.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -71.67 133.11 45.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.748 0.785 . . . . 25.0 112.833 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -90.12 78.9 6.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.829 -1.078 . . . . 25.0 110.098 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -156.29 155.76 32.86 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -102.07 -137.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.11 148.62 49.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.789 0.804 . . . . 25.0 110.723 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -144.24 145.71 32.21 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 49.21 38.21 12.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.968 0.907 . . . . 25.0 112.075 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 60.12 18.46 7.78 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.275 1.213 . . . . 25.0 114.275 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -69.11 110.11 4.36 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -136.99 35.18 2.59 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 60.94 -156.12 0.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 102.794 -3.039 . . . . 25.0 102.794 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.136 0 CA-C-O 120.465 -0.075 . . . . 25.0 112.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.91 -37.49 78.99 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -37.46 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.619 0.724 . . . . 25.0 109.918 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.45 -41.52 76.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.984 -0.448 . . . . 25.0 111.269 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -70.72 -12.12 61.36 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.82 -24.36 19.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -83.83 88.82 7.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.456 0.646 . . . . 25.0 109.816 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.26 -38.37 12.31 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.638 2.088 . . . . 25.0 116.638 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -66.65 -28.26 68.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.497 -0.752 . . . . 25.0 112.577 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -76.23 -38.19 56.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -58.25 -36.05 56.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -55.81 -47.3 77.39 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.8 -39.31 66.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.278 0.561 . . . . 25.0 110.107 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.84 -23.57 65.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -57.42 -44.04 84.29 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -69.26 -45.98 68.4 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.572 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.81 96.51 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -41.29 98.95 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.53 -43.04 70.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 p -66.24 -27.34 67.89 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -71.11 -21.25 62.23 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.584 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.48 80.84 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 121.528 -0.368 . . . . 25.0 112.989 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -97.94 121.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.81 84.38 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.592 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.84 161.71 38.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.08 146.75 24.39 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.996 -1.112 . . . . 25.0 107.996 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.33 -49.51 43.84 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.03 68.21 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.03 -22.99 26.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -52.77 5.95 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.2 0.455 . . . . 25.0 110.631 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.02 -19.97 61.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.13 -39.95 63.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.241 0.543 . . . . 25.0 110.628 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -82.06 -23.92 35.57 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.199 -0.313 . . . . 25.0 111.755 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.42 -20.85 62.06 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -35.56 21.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.795 -0.566 . . . . 25.0 110.242 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.7 -35.74 77.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.96 -31.85 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 122.029 -0.419 . . . . 25.0 110.986 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.81 -35.04 78.61 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.723 -0.611 . . . . 25.0 111.859 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.36 -52.22 29.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 25.0 110.914 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -70.19 -28.34 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.622 0.725 . . . . 25.0 112.408 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -132.16 78.68 68.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.431 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.22 -14.82 31.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-O 121.727 0.636 . . . . 25.0 112.362 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -16.95 48.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.884 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.38 -51.67 59.0 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.004 -0.435 . . . . 25.0 111.883 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -71.58 -23.42 23.23 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 113.707 -3.729 . . . . 25.0 114.1 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -39.65 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.876 0.324 . . . . 25.0 111.876 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' A' ' 55' ' ' ARG . 40.8 mt-10 -77.5 -20.44 54.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.29 27.95 58.44 Favored Glycine 0 C--O 1.227 -0.289 0 N-CA-C 116.397 1.319 . . . . 25.0 116.397 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -126.75 131.82 51.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.71 103.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.573 1.177 . . . . 25.0 110.006 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.91 164.16 33.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.314 -2.106 . . . . 25.0 105.314 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -65.75 -31.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 -171.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -70.85 -25.27 62.75 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.781 -0.574 . . . . 25.0 109.974 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' A' ' 48' ' ' GLU . 58.9 mtt-85 -85.33 -37.93 19.37 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.659 0.266 . . . . 25.0 110.642 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -63.84 -36.34 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -64.31 -34.48 78.23 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.189 -0.604 . . . . 25.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -60.05 -27.76 67.21 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.783 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.59 -36.75 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.15 -36.92 72.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.26 -40.68 97.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.796 -1.186 . . . . 25.0 107.796 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -43.42 95.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.659 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.19 -34.99 78.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.05 -45.14 93.65 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -73.14 -33.53 65.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.351 0.596 . . . . 25.0 111.417 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.07 -39.46 94.13 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.07 -41.06 78.06 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.963 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -59.44 -23.9 63.07 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.185 -0.322 . . . . 25.0 111.534 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.7 m -64.65 -55.96 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.4 12.02 6.95 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.47 2.026 . . . . 25.0 116.47 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.46 -151.05 37.54 Favored Glycine 0 C--O 1.243 0.685 0 C-N-CA 120.609 -0.805 . . . . 25.0 111.775 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.3 -11.57 32.38 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 118.607 1.204 . . . . 25.0 114.33 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.02 -22.03 62.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 25.0 110.516 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -95.22 -38.37 10.6 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.4 t -134.34 130.95 20.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.52 147.69 41.29 Favored 'Trans proline' 0 CA--C 1.517 -0.344 0 C-N-CA 114.136 -3.443 . . . . 25.0 110.755 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.58 -21.39 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.639 -0.663 . . . . 25.0 111.721 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -71.49 -23.58 61.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 121.512 -0.742 . . . . 25.0 111.186 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.72 81.37 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 119.982 -0.687 . . . . 25.0 110.421 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -69.65 -31.64 69.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.406 0.622 . . . . 25.0 110.944 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -72.29 -43.42 64.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -64.43 -39.41 93.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.075 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -61.06 -38.59 86.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 25.0 111.778 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.74 -44.47 77.47 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.13 -29.61 29.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.231 -0.988 . . . . 25.0 108.687 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -58.38 -50.97 71.78 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.57 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -67.86 -30.14 69.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 120.572 -0.451 . . . . 25.0 110.785 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.6 -41.17 76.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.55 -39.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.38 -29.59 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 25.0 111.065 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -117.65 33.28 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.56 -21.76 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.239 0.543 . . . . 25.0 109.617 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.06 -29.01 70.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.34 10.02 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.275 0.56 . . . . 25.0 111.116 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -125.01 86.12 57.05 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.773 -0.455 . . . . 25.0 109.773 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.12 -22.57 40.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 N-CA-C 114.92 1.085 . . . . 25.0 114.92 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -65.33 -47.4 76.63 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.21 -30.86 12.9 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 C-N-CA 119.281 -0.967 . . . . 25.0 110.178 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -57.64 -42.06 82.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.562 0.619 . . . . 25.0 110.791 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.4 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.517 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.59 58.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.99 -49.79 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.59 96.86 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.96 -36.43 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -67.78 -39.73 84.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.08 -39.7 93.34 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.265 -0.272 . . . . 25.0 110.675 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.01 -47.39 74.63 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.005 0.431 . . . . 25.0 111.943 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.34 -34.8 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.2 -32.62 72.38 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -67.2 -34.76 78.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.094 0.406 . . . . 25.0 111.39 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -83.47 -57.65 3.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.41 29.41 1.98 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.595 1.158 . . . . 25.0 112.919 -174.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.8 p -86.9 171.83 10.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 56.57 21.9 6.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.31 1.044 . . . . 25.0 112.875 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.33 144.52 37.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.693 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -156.52 161.25 40.01 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 103.821 -2.659 . . . . 25.0 103.821 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 mt -126.92 136.55 52.46 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.812 0.815 . . . . 25.0 112.971 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.52 143.92 51.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.047 -0.979 . . . . 25.0 108.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -127.46 -3.97 6.06 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -62.74 142.48 58.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -147.81 146.8 29.28 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -110.99 -25.89 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.708 0.29 . . . . 25.0 111.539 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 159.73 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 106.048 -1.834 . . . . 25.0 106.048 173.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 C--O 1.258 1.518 1 N-CA-C 97.428 -5.027 . . . . 25.0 97.428 169.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.559 0 N-CA-C 110.801 -0.92 . . . . 25.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -67.12 -24.34 65.92 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 122.533 -0.392 . . . . 25.0 111.81 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -85.5 -44.28 12.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.457 0.646 . . . . 25.0 111.606 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.79 -40.66 97.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -59.24 -21.45 59.58 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -91.79 -19.66 22.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.017 0.826 . . . . 25.0 110.337 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.17 91.4 7.69 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.09 -32.14 63.88 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.26 -37.27 69.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.514 0.673 . . . . 25.0 110.932 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -82.6 -43.16 17.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.563 -0.744 . . . . 25.0 110.145 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.35 -43.93 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.21 -38.92 88.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.558 0.617 . . . . 25.0 111.088 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.23 71.93 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -23.44 66.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.0 -30.29 70.85 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.5 -48.36 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.71 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -39.6 90.6 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.949 -0.469 . . . . 25.0 110.716 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -76.5 -38.09 55.78 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.3 p -67.53 -19.8 65.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -73.41 -18.53 61.14 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 120.271 -0.571 . . . . 25.0 110.439 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 -0.49 83.78 Favored Glycine 0 CA--C 1.517 0.188 0 CA-C-O 121.836 0.687 . . . . 25.0 112.405 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.27 132.6 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -82.48 84.48 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 146.73 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.527 0.68 . . . . 25.0 110.17 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -85.68 132.56 34.13 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.874 -1.528 . . . . 25.0 106.874 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -49.1 69.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.42 76.0 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.961 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -75.09 -38.17 61.3 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.14 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -49.41 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.557 -0.857 . . . . 25.0 109.671 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.05 -34.17 69.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.471 -0.786 . . . . 25.0 112.678 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -26.41 68.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.502 -0.749 . . . . 25.0 112.732 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -76.23 -26.57 56.19 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.544 -0.722 . . . . 25.0 109.871 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -72.79 -28.7 62.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.47 -35.7 68.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.04 -30.35 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.842 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -60.93 -50.72 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.229 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -65.72 -40.54 92.3 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.466 -0.894 . . . . 25.0 111.424 -170.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -24.93 64.04 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 m -97.2 -34.07 11.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.361 0.6 . . . . 25.0 112.347 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -121.59 78.32 37.71 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 123.541 0.736 . . . . 25.0 110.072 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -70.66 -18.47 32.75 Favored 'Trans proline' 0 C--O 1.223 -0.257 0 C-N-CA 118.075 -0.816 . . . . 25.0 113.18 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -23.87 48.59 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.32 -51.78 71.12 Favored Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 113.541 0.941 . . . . 25.0 113.541 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -68.88 -22.72 35.92 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 113.019 -4.188 . . . . 25.0 113.307 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -15.63 62.63 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.27 -19.09 58.64 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.53 21.08 40.71 Favored Glycine 0 C--O 1.222 -0.597 0 N-CA-C 115.187 0.835 . . . . 25.0 115.187 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -134.26 132.62 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.562 0.681 . . . . 25.0 110.554 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -110.78 114.59 47.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 122.408 1.099 . . . . 25.0 109.126 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.37 162.57 39.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 -30.04 49.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -70.77 -34.35 71.73 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.86 -0.525 . . . . 25.0 109.69 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.08 -39.86 65.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.15 -27.26 68.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.377 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -52.56 -50.13 63.55 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 120.98 0.419 . . . . 25.0 110.605 176.026 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.93 -28.85 54.2 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 114.556 -1.202 . . . . 25.0 113.419 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -71.12 -42.75 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 25.0 110.624 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -35.63 49.21 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.487 -1.045 . . . . 25.0 110.487 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.0 -39.42 94.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -50.02 73.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.958 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -59.79 -36.51 76.88 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.113 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.73 -48.11 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -74.29 -29.95 61.87 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.289 -178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.53 -38.92 84.94 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.234 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -64.24 -32.5 74.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.995 -0.44 . . . . 25.0 110.597 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -82.87 -42.09 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -118.27 0.31 11.68 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.8 -178.65 48.12 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 116.722 1.449 . . . . 25.0 116.722 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.48 -16.4 34.54 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.09 1.86 . . . . 25.0 113.75 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -70.76 -19.86 62.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 25.0 110.173 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -110.23 -33.33 6.68 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.47 131.03 24.54 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.28 149.56 19.47 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 114.865 -2.957 . . . . 25.0 112.443 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.18 -20.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 25.0 110.783 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -72.5 -18.5 61.66 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.626 -0.671 . . . . 25.0 111.314 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.83 83.89 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.182 -0.607 . . . . 25.0 109.469 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.88 -32.87 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.247 0.546 . . . . 25.0 111.023 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -69.89 -45.64 67.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.22 -43.93 96.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.021 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -55.15 -39.49 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.863 0.363 . . . . 25.0 111.283 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.05 -34.89 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.577 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tt -63.82 -38.6 91.7 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.948 0.404 . . . . 25.0 110.465 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.16 -30.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 121.162 -0.962 . . . . 25.0 108.873 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -58.96 -44.41 91.47 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.569 -0.707 . . . . 25.0 110.21 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.34 -30.37 69.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.843 0.747 . . . . 25.0 110.371 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.508 HD22 HG11 ' A' ' 99' ' ' VAL . 75.0 mt -68.0 -38.6 82.81 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.122 -0.231 . . . . 25.0 111.435 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.63 -41.75 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 25.0 109.696 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.89 -40.49 84.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.203 0.525 . . . . 25.0 109.695 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.88 38.79 2.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -64.22 -18.14 64.23 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.228 0.537 . . . . 25.0 109.603 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.7 -32.16 72.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.98 7.9 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.661 0.743 . . . . 25.0 110.188 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -123.17 79.48 52.18 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.13 -20.4 33.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 117.778 -1.015 . . . . 25.0 114.666 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -69.61 -42.03 74.93 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.508 HG11 HD22 ' A' ' 89' ' ' LEU . 5.8 m -78.1 -25.17 14.1 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 O-C-N 121.06 -1.025 . . . . 25.0 110.21 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -36.7 80.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.76 74.59 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.012 -0.43 . . . . 25.0 110.604 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.2 61.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 122.123 -0.361 . . . . 25.0 110.548 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.57 -48.4 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.61 78.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.025 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.36 -37.75 88.5 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.9 m -64.07 -42.55 96.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -61.03 -42.62 98.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.415 -0.514 . . . . 25.0 112.13 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.11 -45.51 92.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.145 0.498 . . . . 25.0 109.984 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.11 -42.96 88.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.78 -40.88 96.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.286 0.494 . . . . 25.0 111.843 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -66.23 -33.15 75.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.079 0.466 . . . . 25.0 110.074 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -79.82 -16.91 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -86.78 2.47 48.72 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.724 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 m -61.55 -8.68 4.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 118.831 2.9 . . . . 25.0 118.831 -171.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -140.23 3.57 1.97 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.685 0.755 . . . . 25.0 109.796 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.0 p -129.01 21.91 5.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.938 1.351 . . . . 25.0 110.72 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -80.97 3.23 23.66 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.27 -1.787 . . . . 25.0 111.407 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 mt -104.25 139.28 39.49 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.683 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -155.3 -48.92 0.08 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.52 151.76 40.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.489 -0.757 . . . . 25.0 111.938 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -75.37 79.47 2.44 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.214 -0.903 . . . . 25.0 110.718 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 68.44 168.65 0.27 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.435 1.494 . . . . 25.0 110.904 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.0 137.18 53.04 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.623 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 52.64 -125.53 2.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.055 0.542 . . . . 25.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--O 1.252 1.202 0 N-CA-C 100.871 -3.751 . . . . 25.0 100.871 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 113.834 0.294 . . . . 25.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -63.63 -40.68 97.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.129 0.465 . . . . 25.0 110.003 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.84 -37.57 82.07 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.21 -38.3 88.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.127 -0.983 . . . . 25.0 111.918 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -73.67 -25.11 60.1 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -78.04 -30.02 49.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.933 0.873 . . . . 25.0 109.922 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.27 85.11 3.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.761 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.74 -37.23 50.24 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -61.44 -28.5 69.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -84.5 -41.87 16.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.23 -37.65 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.32 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 52.6 mm-40 -52.25 -41.64 62.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.331 0.493 . . . . 25.0 112.331 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -41.16 17.33 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -32.06 73.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -173.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 56.7 pttt -66.69 -29.15 69.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 121.393 -0.817 . . . . 25.0 110.385 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.26 -38.81 63.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.34 91.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.94 -0.475 . . . . 25.0 110.891 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -41.36 90.53 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.05 -46.91 69.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -68.26 -18.43 64.54 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -22.91 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.61 5.48 89.9 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.88 107.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.14 84.26 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.155 0.502 . . . . 25.0 111.037 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -126.16 135.44 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -72.03 157.05 38.52 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.926 -0.484 . . . . 25.0 110.399 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.2 -43.87 74.8 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.11 71.58 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 123.273 0.358 . . . . 25.0 111.228 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -77.67 -46.85 20.75 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -51.42 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.032 -0.667 . . . . 25.0 111.727 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.3 -19.9 65.72 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -62.32 -31.26 71.85 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 119.217 -0.993 . . . . 25.0 110.482 175.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -76.4 -23.89 54.04 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.994 -1.066 . . . . 25.0 110.832 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -76.51 -22.36 54.55 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.23 -34.98 36.76 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.524 -0.735 . . . . 25.0 109.052 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.46 -38.17 90.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.998 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.54 -31.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.578 -0.701 . . . . 25.0 111.23 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.9 -42.04 97.23 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.271 -0.893 . . . . 25.0 108.891 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.75 -53.14 19.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.605 -0.725 . . . . 25.0 112.065 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -72.03 -27.54 62.78 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.476 0.655 . . . . 25.0 112.492 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 63.1 m -125.29 78.43 67.35 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 25.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.57 -14.65 37.02 Favored 'Trans proline' 0 C--N 1.346 0.395 0 CA-C-O 122.041 0.767 . . . . 25.0 111.897 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -14.68 57.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.516 175.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.26 -53.21 33.17 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 118.328 0.513 . . . . 25.0 111.092 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.26 -21.23 27.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.47 -3.887 . . . . 25.0 113.55 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 121' ' ' HIS . 51.3 tt0 -65.6 -37.86 87.81 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.27 -0.269 . . . . 25.0 111.319 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 56.96 33.87 64.61 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 116.228 -0.442 . . . . 25.0 113.73 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.3 m -123.97 126.23 45.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.802 -1.185 . . . . 25.0 107.802 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.1 mt -122.31 103.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.714 1.245 . . . . 25.0 109.943 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.54 165.58 27.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.66 -30.56 50.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 117.725 0.238 . . . . 25.0 111.462 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -69.13 -31.89 70.88 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.472 -0.768 . . . . 25.0 110.215 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -76.25 -41.35 49.38 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -67.43 -30.1 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -61.6 -41.28 97.23 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 110.448 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -62.1 -25.06 67.5 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.24 -39.93 79.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.02 -36.14 64.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.482 -0.866 . . . . 25.0 110.989 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -60.18 -40.68 90.86 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 25.0 107.968 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -42.84 93.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.216 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -63.68 -37.08 85.99 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.21 -40.55 86.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.618 0.246 . . . . 25.0 110.713 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -63.18 -47.51 82.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.907 0.861 . . . . 25.0 109.493 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.52 -38.83 92.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.389 0.614 . . . . 25.0 110.223 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -65.79 -45.59 81.87 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -29.61 70.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -172.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -60.16 -43.05 96.09 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.23 -5.64 6.04 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.32 -161.99 39.72 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.795 -0.717 . . . . 25.0 112.446 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -70.05 -9.8 26.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.226 1.284 . . . . 25.0 115.383 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -75.46 -5.56 45.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -117.42 -43.25 2.83 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.21 130.88 24.2 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 105.772 -1.936 . . . . 25.0 105.772 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.19 151.56 38.83 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.671 -3.086 . . . . 25.0 111.87 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.7 -20.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 121.876 -0.515 . . . . 25.0 110.703 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.28 -19.38 61.69 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.734 -0.604 . . . . 25.0 111.095 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.8 82.71 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.075 -0.65 . . . . 25.0 109.417 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.2 -31.28 65.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.152 0.501 . . . . 25.0 110.852 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.2 t -71.23 -43.67 66.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -63.2 -44.04 96.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -58.49 -40.38 82.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.877 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -63.78 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.357 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.97 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.02 -30.65 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -57.6 -45.68 85.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.03 -0.419 . . . . 25.0 110.448 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -75.1 -25.65 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.833 -0.747 . . . . 25.0 111.254 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 99' ' ' VAL . 51.5 mt -66.54 -40.34 89.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.05 -0.407 . . . . 25.0 110.497 175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.65 -41.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.0 -27.32 68.23 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.086 0.47 . . . . 25.0 110.966 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -119.37 35.03 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -63.67 -19.64 65.06 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.014 0.435 . . . . 25.0 110.512 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.59 8.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.504 0.668 . . . . 25.0 110.793 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -123.03 79.78 51.16 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.98 -21.45 56.75 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 117.855 -0.963 . . . . 25.0 114.336 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.61 -50.2 68.1 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.62 HG11 HD22 ' A' ' 89' ' ' LEU . 3.6 m -77.11 -27.71 16.32 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.5 tpt -58.23 -42.16 85.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.234 0.47 . . . . 25.0 110.152 174.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.53 77.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.32 . . . . 25.0 110.185 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.48 56.89 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.121 -0.362 . . . . 25.0 110.479 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.15 -50.16 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.27 91.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.311 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -61.63 -39.41 91.2 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.47 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -69.0 -36.67 78.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.509 -0.744 . . . . 25.0 109.667 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.54 -44.03 97.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.929 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.12 -42.04 94.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.142 -0.349 . . . . 25.0 111.715 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.55 -38.99 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.27 -40.76 94.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.092 -0.38 . . . . 25.0 111.353 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.454 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 29.9 mmtp -68.78 -30.59 69.22 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -76.0 -23.52 55.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -84.63 125.19 32.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.399 0.619 . . . . 25.0 110.723 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.5 m -63.86 130.98 46.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -116.03 104.79 11.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.573 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.8 p -115.39 -6.79 12.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.858 -1.064 . . . . 25.0 110.548 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -93.96 81.36 4.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.505 -1.225 . . . . 25.0 108.068 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -151.47 149.2 28.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.664 0.986 . . . . 25.0 113.664 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -98.85 -41.51 7.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.957 -1.02 . . . . 25.0 111.789 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.89 109.89 4.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 -169.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.422 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 75.7 m-70 -71.17 134.1 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -72.71 166.5 22.71 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -120.7 147.65 44.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.3 m170 57.81 -164.63 0.17 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 -174.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 CA--C 1.509 -0.61 0 N-CA-C 102.495 -3.15 . . . . 25.0 102.495 175.825 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.573 0 CA-C-O 119.977 -0.346 . . . . 25.0 113.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.69 -38.61 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.866 0.833 . . . . 25.0 110.84 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.92 -39.96 83.43 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.069 -0.394 . . . . 25.0 110.735 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.03 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -83.6 -22.09 32.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.334 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -79.39 77.02 5.96 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.18 -31.08 41.02 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.36 -30.22 71.27 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.603 -0.685 . . . . 25.0 111.92 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -84.19 -39.87 18.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.05 -40.09 52.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.679 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -52.79 -52.16 57.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.085 0.469 . . . . 25.0 111.767 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -36.38 78.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.36 -23.42 66.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -57.05 -40.25 76.44 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -73.08 -43.29 62.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.105 -0.952 . . . . 25.0 110.076 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.51 90.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.42 -40.2 96.54 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -71.36 -40.29 70.72 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 p -66.49 -21.78 66.18 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -72.47 -16.23 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.508 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.12 8.36 69.44 Favored Glycine 0 C--O 1.229 -0.191 0 N-CA-C 114.1 0.4 . . . . 25.0 114.1 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.72 137.89 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.48 84.29 7.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 25.0 109.919 -176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.14 157.09 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -104.67 152.85 21.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.81 -41.97 78.74 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.5 74.48 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 111.588 0.218 . . . . 25.0 111.588 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.4 -47.67 17.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.129 0.49 . . . . 25.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.38 -49.99 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.306 0.574 . . . . 25.0 110.174 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.31 -19.9 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.22 -40.0 96.23 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -72.37 -28.63 63.14 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.702 -0.623 . . . . 25.0 111.387 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.04 -21.46 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.389 0.614 . . . . 25.0 109.564 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.83 -29.52 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.385 -0.822 . . . . 25.0 110.66 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.48 -38.09 86.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.002 -0.544 . . . . 25.0 111.481 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -41.74 92.51 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -40.21 95.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.049 -0.407 . . . . 25.0 111.682 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -26.19 66.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.722 0.267 . . . . 25.0 111.722 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -97.23 -29.42 13.58 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.443 0.639 . . . . 25.0 112.247 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.1 m -119.45 82.78 25.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 123.113 0.565 . . . . 25.0 110.876 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.27 -18.6 34.48 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 118.288 -0.674 . . . . 25.0 112.697 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -14.18 54.98 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.916 -0.583 . . . . 25.0 112.46 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.03 -49.17 36.86 Favored Pre-proline 0 CA--C 1.537 0.476 0 O-C-N 121.426 -0.796 . . . . 25.0 112.764 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.81 -22.87 42.32 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 113.46 -3.893 . . . . 25.0 113.049 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.77 -27.94 69.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.527 0.331 . . . . 25.0 111.452 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.76 -23.16 63.33 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.212 -0.305 . . . . 25.0 111.357 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.72 20.49 47.36 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 114.424 0.53 . . . . 25.0 114.424 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -132.96 133.13 42.77 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.545 0.338 . . . . 25.0 110.638 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.443 HG13 ' HB ' ' A' ' 106' ' ' THR . 40.6 mm -115.47 102.69 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 CA-C-O 123.666 1.698 . . . . 25.0 109.279 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -156.48 163.15 39.76 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 112.997 -1.91 . . . . 25.0 108.303 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.12 -26.0 37.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.91 -37.63 77.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -85.55 -43.98 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.05 0.453 . . . . 25.0 111.543 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -62.11 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -59.96 -40.4 88.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.832 -0.542 . . . . 25.0 111.303 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -59.29 -26.63 65.12 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.55 -41.12 85.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.405 0.621 . . . . 25.0 110.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.63 53.34 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.147 -1.181 . . . . 25.0 110.147 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 -43.63 91.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.132 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -64.2 -36.73 85.01 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.43 -44.28 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -61.41 -49.96 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.84 0.828 . . . . 25.0 109.837 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.86 -34.81 78.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.76 -38.45 83.46 Favored 'General case' 0 C--O 1.214 -0.795 0 O-C-N 122.288 -0.257 . . . . 25.0 111.136 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.66 65.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.419 -0.8 . . . . 25.0 110.358 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 m -64.06 -41.19 97.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.33 -2.83 6.25 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 116.967 2.21 . . . . 25.0 116.967 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.79 -175.94 52.05 Favored Glycine 0 C--O 1.243 0.711 0 O-C-N 121.533 -0.729 . . . . 25.0 114.31 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.47 -7.62 21.62 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.104 1.869 . . . . 25.0 115.317 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.18 -19.92 61.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 25.0 110.138 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -101.54 -42.64 6.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 80.5 t -119.05 131.17 24.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.517 ' HB2' HG22 ' A' ' 78' ' ' THR . 91.6 Cg_endo -80.42 150.03 19.35 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 115.738 -2.374 . . . . 25.0 111.833 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.49 -24.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.22 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 76' ' ' PRO . 5.8 t -67.67 -21.51 65.35 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.945 -0.472 . . . . 25.0 111.581 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.2 -27.08 67.72 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.445 -0.785 . . . . 25.0 111.563 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -81.52 -30.67 33.11 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -69.64 -45.3 68.76 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.107 -1.406 . . . . 25.0 109.625 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.55 -43.69 93.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.289 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -55.65 -41.77 74.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.974 0.416 . . . . 25.0 111.717 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.28 -33.31 75.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.479 . . . . 25.0 111.864 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 25.0 110.503 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.88 -30.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -56.1 -43.02 77.67 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.952 -0.467 . . . . 25.0 111.516 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.71 -24.82 38.53 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.203 -0.311 . . . . 25.0 110.949 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.04 -42.43 89.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.39 -43.28 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.769 0.319 . . . . 25.0 110.491 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.19 -38.07 82.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.4 . . . . 25.0 110.483 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -107.51 36.0 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -60.72 -24.69 65.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.258 0.551 . . . . 25.0 110.231 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.45 -32.49 70.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -112.87 10.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.681 0.753 . . . . 25.0 109.304 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -127.7 82.79 67.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.686 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.42 -17.67 43.99 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 117.628 -1.115 . . . . 25.0 113.663 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -50.96 63.75 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -76.84 -25.21 15.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.09 -0.644 . . . . 25.0 111.709 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -34.03 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.8 -0.563 . . . . 25.0 110.125 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.49 74.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.067 -0.396 . . . . 25.0 110.682 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -31.68 50.84 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.289 -0.257 . . . . 25.0 110.402 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.83 -51.68 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.79 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.881 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.79 -41.52 97.92 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.269 -0.572 . . . . 25.0 112.106 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 51' ' ' ILE . 23.5 m -65.96 -42.95 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -55.67 -46.14 77.6 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.156 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.29 -30.6 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.9 -38.44 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.07 -27.75 67.63 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.56 -38.73 77.56 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.0 t -83.44 -52.21 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 43.95 35.79 1.23 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 115.51 1.67 . . . . 25.0 115.51 -176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 t -71.6 101.71 2.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.711 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -66.34 -17.92 65.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.1 0.408 . . . . 25.0 112.1 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 m 44.35 49.05 8.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 122.38 1.086 . . . . 25.0 113.708 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 56.18 32.41 20.16 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.704 2.113 . . . . 25.0 116.704 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.54 154.45 38.63 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.82 72.9 0.4 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 116.463 2.024 . . . . 25.0 116.463 -176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -86.05 54.59 3.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.766 -1.208 . . . . 25.0 113.923 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 2.76 29.01 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.168 3.396 . . . . 25.0 120.168 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 42.63 39.37 1.59 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 117.979 2.585 . . . . 25.0 117.979 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -59.17 -42.17 90.14 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.406 2.002 . . . . 25.0 116.406 -171.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -116.91 161.69 18.94 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 173.901 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.148 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.72 -27.71 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.448 -0.442 . . . . 25.0 110.871 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -78.18 -38.38 43.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.723 0.773 . . . . 25.0 109.856 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.96 -36.47 84.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -68.16 -13.45 62.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -113.66 -3.3 13.59 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.001 0.429 . . . . 25.0 111.74 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -85.91 92.51 8.68 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 105.831 -1.914 . . . . 25.0 105.831 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -53.91 -34.71 60.34 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -172.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -56.36 -38.94 72.09 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.015 -0.428 . . . . 25.0 111.823 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -77.49 -39.74 45.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.408 0.623 . . . . 25.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.3 -38.02 66.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.599 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.924 -0.711 . . . . 25.0 109.754 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.74 -23.55 63.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -56.32 -40.94 75.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 106.686 -1.598 . . . . 25.0 106.686 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -83.81 -44.84 13.94 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.306 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.3 89.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.36 -39.59 92.51 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.5 -41.32 80.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -69.89 -23.27 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.189 0.45 . . . . 25.0 111.96 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -71.6 -21.71 61.82 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.044 -0.662 . . . . 25.0 109.458 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.66 16.77 78.7 Favored Glycine 0 C--O 1.228 -0.275 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.0 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.18 128.86 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -77.04 84.32 3.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.89 0.376 . . . . 25.0 110.907 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -119.33 135.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -74.7 145.23 43.29 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.82 -43.53 69.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.907 -0.496 . . . . 25.0 112.011 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.39 77.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.84 -40.6 68.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.305 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.97 -54.78 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 25.0 110.686 -176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -19.85 66.08 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -60.15 -35.04 74.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.628 -0.67 . . . . 25.0 109.96 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.89 -25.14 55.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.808 -0.557 . . . . 25.0 111.996 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.95 -32.38 69.24 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -38.82 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.687 0.756 . . . . 25.0 110.967 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.17 -30.26 69.21 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.05 -27.7 38.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 119.946 -0.702 . . . . 25.0 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -66.08 -43.27 87.82 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -169.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.61 -32.87 73.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.172 0.51 . . . . 25.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -77.28 -37.99 51.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.335 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -124.55 79.66 61.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 123.181 0.592 . . . . 25.0 110.42 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.37 -22.72 33.47 Favored 'Trans proline' 0 C--O 1.222 -0.324 0 CA-C-O 121.216 0.423 . . . . 25.0 112.529 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -15.04 60.04 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -64.46 -52.99 49.05 Favored Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.689 -0.632 . . . . 25.0 112.318 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.07 -20.88 24.68 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 113.628 -3.782 . . . . 25.0 114.386 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.38 -34.72 78.98 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.957 0.408 . . . . 25.0 111.005 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.21 -16.56 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 25.0 110.853 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.45 23.5 48.95 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.4 m -134.92 138.0 43.68 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' HB ' ' A' ' 106' ' ' THR . 30.6 mm -116.57 115.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.354 1.073 . . . . 25.0 109.264 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -154.8 168.9 25.34 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.665 -1.152 . . . . 25.0 108.04 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.72 -38.71 80.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.419 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -61.04 -34.44 74.87 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.155 0.434 . . . . 25.0 111.884 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -78.47 -34.97 47.25 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.183 0.447 . . . . 25.0 110.058 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -64.94 -28.66 69.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -61.51 -48.3 81.69 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.54 -29.08 58.28 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 113.954 -1.475 . . . . 25.0 113.074 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.79 -41.36 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.451 0.643 . . . . 25.0 109.577 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -36.44 67.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.645 -0.982 . . . . 25.0 110.645 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -38.24 89.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.04 93.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.606 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.81 -39.41 94.18 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -65.41 -39.19 91.85 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.286 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.86 -50.21 74.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.986 0.898 . . . . 25.0 109.931 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -32.32 73.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.935 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.03 -38.33 69.58 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.113 -0.494 . . . . 25.0 112.201 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -32.04 67.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.267 -0.896 . . . . 25.0 109.417 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.1 m -66.22 -42.99 87.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.448 -0.796 . . . . 25.0 113.041 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.23 3.64 6.38 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.543 2.423 . . . . 25.0 117.543 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.72 -167.31 54.48 Favored Glycine 0 C--O 1.247 0.924 0 O-C-N 121.573 -0.704 . . . . 25.0 114.061 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -70.96 -10.15 27.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 121.091 1.194 . . . . 25.0 113.503 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.63 -25.12 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.448 0.642 . . . . 25.0 110.243 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -107.14 -42.28 4.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.0 t -122.81 131.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.7 Cg_endo -77.48 148.79 26.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 115.712 -2.392 . . . . 25.0 112.659 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.46 -21.23 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.945 -0.472 . . . . 25.0 111.722 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 76' ' ' PRO . 13.7 t -70.12 -22.63 62.99 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.542 -0.724 . . . . 25.0 110.985 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.41 87.15 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 119.922 -0.711 . . . . 25.0 109.957 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -72.03 -32.65 67.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.513 0.673 . . . . 25.0 110.897 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.77 -46.68 68.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.2 -40.3 93.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 25.0 110.444 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -58.11 -39.11 77.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.231 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -64.74 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.678 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.87 -38.08 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.33 0.586 . . . . 25.0 110.073 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.87 -31.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.601 -0.687 . . . . 25.0 109.264 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -58.14 -46.85 84.92 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.152 -0.343 . . . . 25.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.95 -41.28 74.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.037 -0.414 . . . . 25.0 111.663 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.5 mt -74.09 -40.86 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.87 -35.48 74.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 25.0 110.858 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -111.01 30.88 6.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.103 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -59.75 -26.29 65.56 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -62.91 -35.65 80.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -106.15 7.63 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.267 0.556 . . . . 25.0 111.361 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -125.18 78.53 66.82 Favored Pre-proline 0 N--CA 1.469 0.492 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -66.78 -18.61 53.2 Favored 'Trans proline' 0 C--N 1.346 0.418 0 N-CA-C 114.659 0.984 . . . . 25.0 114.659 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -63.29 -46.39 86.95 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.9 -27.86 6.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.565 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -38.83 85.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.637 -0.664 . . . . 25.0 111.236 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.77 71.18 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.406 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.43 -32.25 58.35 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.992 -0.443 . . . . 25.0 109.819 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.5 -47.68 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.37 90.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.151 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.19 -36.05 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.401 ' HB ' HG13 ' A' ' 51' ' ' ILE . 32.6 m -63.21 -41.78 99.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.06 -41.62 96.96 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.024 -0.423 . . . . 25.0 111.812 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.03 -45.97 91.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.374 0.607 . . . . 25.0 110.534 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.04 -38.08 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.42 -37.1 79.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -69.46 -34.26 74.12 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.617 -0.677 . . . . 25.0 110.615 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.1 t -83.54 -33.05 25.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 115.688 1.736 . . . . 25.0 115.688 -174.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -90.28 170.91 9.87 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.918 2.192 . . . . 25.0 116.918 -166.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.9 m -76.74 91.13 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.326 -1.306 . . . . 25.0 111.897 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -77.83 54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.977 0.417 . . . . 25.0 110.967 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 p -65.84 146.6 54.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 154.93 48.7 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.975 -0.557 . . . . 25.0 109.687 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 mt -129.83 158.28 39.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -1.14 16.32 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.794 0.806 . . . . 25.0 110.746 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 60.9 -170.12 0.16 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -129.11 25.65 5.52 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.439 -0.788 . . . . 25.0 112.403 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -134.41 28.57 3.68 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.166 0.508 . . . . 25.0 112.238 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -76.56 -9.78 58.91 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -125.83 162.49 25.0 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.322 -0.609 1 N-CA-C 100.187 -4.005 . . . . 25.0 100.187 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 N-CA-C 112.848 -0.101 . . . . 25.0 112.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -59.31 -39.37 82.84 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.451 -0.44 . . . . 25.0 111.089 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -75.38 -39.92 58.59 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.025 0.916 . . . . 25.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.42 -35.22 73.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.96 -0.563 . . . . 25.0 110.903 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -76.7 -6.96 54.31 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -99.06 -24.03 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -79.04 103.56 9.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.739 0.304 . . . . 25.0 111.667 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.87 -43.73 6.52 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -74.21 -37.6 63.84 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.473 -0.767 . . . . 25.0 111.773 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.23 -41.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 25.0 110.077 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -45.9 90.9 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.563 0.62 . . . . 25.0 111.567 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -61.67 -41.24 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.186 0.517 . . . . 25.0 110.103 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.45 -23.72 63.71 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -62.14 -39.55 92.96 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -76.02 -42.57 47.56 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.291 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.65 94.46 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.14 -39.69 93.44 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.81 -45.75 67.2 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -66.87 -22.17 65.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.825 0.345 . . . . 25.0 111.393 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -68.42 -18.99 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.366 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 4.27 84.39 Favored Glycine 0 C--O 1.239 0.444 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.407 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.56 145.44 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 107.032 -1.469 . . . . 25.0 107.032 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -97.48 84.34 3.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -170.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.87 159.54 22.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -104.79 160.16 15.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.83 -40.15 91.69 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.953 -0.299 . . . . 25.0 110.345 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.05 82.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.734 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -78.59 -46.9 18.3 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.695 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.78 -53.68 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 -19.96 66.13 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -59.25 -37.14 76.85 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.405 -0.809 . . . . 25.0 109.982 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -73.73 -23.74 59.81 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 121.342 -0.849 . . . . 25.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.62 -27.15 62.91 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 173.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -71.11 -33.85 70.55 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -67.24 -42.07 84.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.155 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -36.03 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 176.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -39.21 86.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.94 -0.475 . . . . 25.0 111.528 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.93 -46.65 20.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -72.87 -29.1 62.92 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.333 0.587 . . . . 25.0 111.611 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.2 m -125.55 78.54 68.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.193 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.18 -16.82 31.68 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.07 0.363 . . . . 25.0 112.669 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -20.0 51.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.315 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -61.92 -53.28 61.41 Favored Pre-proline 0 CA--C 1.543 0.686 0 O-C-N 121.86 -0.525 . . . . 25.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.33 -23.6 23.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 113.78 -3.68 . . . . 25.0 115.136 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.62 -37.27 86.11 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' CD ' HH12 ' A' ' 55' ' ' ARG . 44.0 mt-10 -79.64 -6.78 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.32 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.4 22.22 50.69 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 173.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -130.67 136.98 49.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.767 0.784 . . . . 25.0 110.138 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -124.13 103.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.509 1.147 . . . . 25.0 109.029 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.91 163.24 24.08 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.47 -36.13 75.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -57.13 -37.35 71.88 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.101 0.477 . . . . 25.0 110.492 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.502 HH12 ' CD ' ' A' ' 48' ' ' GLU . 83.6 mtt-85 -79.33 -37.76 36.79 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.866 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -64.69 -30.17 71.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -59.78 -49.88 75.99 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.895 0.855 . . . . 25.0 108.717 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -55.74 -28.64 56.93 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 113.702 -1.59 . . . . 25.0 114.131 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.37 -40.92 87.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.551 0.691 . . . . 25.0 109.396 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.78 -33.47 55.41 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.165 -0.774 . . . . 25.0 111.165 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.88 -39.96 93.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 176.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.6 -43.26 94.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.646 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.16 -39.32 94.32 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -64.96 -45.83 84.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.375 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -67.89 -37.94 82.39 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.559 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.3 -37.4 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.18 -38.21 89.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.075 -0.39 . . . . 25.0 110.221 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.44 -32.36 73.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.961 0.41 . . . . 25.0 110.185 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.1 m -76.12 -42.07 48.13 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.51 0.68 6.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -170.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -177.76 54.23 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 116.331 1.293 . . . . 25.0 116.331 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.92 -8.02 22.68 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.226 2.617 . . . . 25.0 114.944 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.98 -26.99 61.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.063 0.459 . . . . 25.0 111.453 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.39 -38.32 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.798 -0.637 . . . . 25.0 111.414 -171.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.39 131.01 24.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 104.319 -2.474 . . . . 25.0 104.319 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HB2' HG22 ' A' ' 78' ' ' THR . 89.4 Cg_endo -85.86 154.82 10.05 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 115.466 -2.556 . . . . 25.0 112.489 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.31 -23.07 31.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.712 -0.618 . . . . 25.0 111.496 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 76' ' ' PRO . 4.3 t -70.75 -23.01 62.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.665 -0.647 . . . . 25.0 111.318 177.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.57 81.55 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 120.059 -0.656 . . . . 25.0 110.805 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -70.86 -32.34 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 25.0 110.562 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.7 t -68.76 -46.94 67.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.01 -40.87 95.54 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.177 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.75 -39.64 77.85 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.108 -0.37 . . . . 25.0 111.146 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.83 -32.27 72.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.445 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.87 -43.94 97.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.898 0.38 . . . . 25.0 110.149 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.6 mp -77.32 -31.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.03 -49.9 72.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.125 -0.359 . . . . 25.0 110.508 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.275 -0.57 . . . . 25.0 111.287 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.67 -40.52 84.47 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 121.877 -0.514 . . . . 25.0 111.582 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.17 -37.95 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.92 -18.96 65.69 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.01 35.37 3.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.215 0.531 . . . . 25.0 110.582 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.59 -28.73 70.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 94' ' ' GLU . 2.3 pm0 -69.0 -19.31 64.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -111.2 7.34 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.469 0.652 . . . . 25.0 109.44 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -128.55 77.83 76.75 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.76 -19.77 59.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 116.992 -1.539 . . . . 25.0 114.605 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -69.21 -36.09 76.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.95 -29.51 6.64 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.286 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.807 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.76 -43.41 94.31 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.587 0.63 . . . . 25.0 110.208 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.01 71.12 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.401 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.53 -29.6 59.51 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.58 -48.69 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.6 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -62.37 -38.69 90.55 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.644 -0.422 . . . . 25.0 112.136 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -36.6 77.79 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.627 -0.879 . . . . 25.0 108.627 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.26 -39.23 89.58 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.913 -0.492 . . . . 25.0 111.525 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.7 -47.46 72.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.524 . . . . 25.0 110.573 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.7 mt -64.0 -38.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.023 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.42 -37.95 87.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.898 -0.501 . . . . 25.0 112.025 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -73.21 -23.13 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.6 t -83.12 -20.33 35.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.157 0.503 . . . . 25.0 110.969 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -83.36 167.08 17.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.405 0.621 . . . . 25.0 110.625 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.4 t -142.66 161.77 37.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -126.37 48.68 2.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -107.65 161.2 15.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 25.4 7.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.202 1.001 . . . . 25.0 113.327 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.53 132.83 45.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 122.22 1.01 . . . . 25.0 110.672 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -154.57 167.16 31.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -139.08 49.32 1.85 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 115.027 1.491 . . . . 25.0 115.027 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -86.78 49.06 1.74 Allowed 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.591 -0.693 . . . . 25.0 111.439 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -152.14 141.65 21.68 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.2 142.33 46.81 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -156.91 101.28 1.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 101.429 -3.545 . . . . 25.0 101.429 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.257 1.461 0 N-CA-C 103.59 -2.744 . . . . 25.0 103.59 -160.117 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.418 0 N-CA-C 111.963 -0.455 . . . . 25.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.23 -41.14 86.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.935 0.368 . . . . 25.0 111.224 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.46 -23.21 50.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.76 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.16 -39.85 82.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.555 -0.716 . . . . 25.0 109.966 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -14.49 63.03 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 172.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.7 -24.89 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.399 0.619 . . . . 25.0 109.864 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.28 91.56 3.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -45.61 -43.38 12.22 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.55 -24.51 64.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.371 0.605 . . . . 25.0 112.332 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -83.62 -41.37 17.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.48 -36.67 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.188 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.2 -42.57 95.39 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -69.04 -41.23 77.94 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.649 -0.657 . . . . 25.0 109.666 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.13 -23.84 66.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.37 -42.58 74.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -84.07 -37.03 22.59 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.987 -0.552 . . . . 25.0 111.697 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.25 85.9 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.89 -38.49 91.16 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -70.01 -39.28 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 p -67.56 -22.82 65.38 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.977 0.808 . . . . 25.0 111.491 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -23.5 64.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 174.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.77 -0.62 70.67 Favored Glycine 0 C--O 1.238 0.393 0 CA-C-N 116.538 -0.301 . . . . 25.0 113.311 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.14 132.58 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -89.39 84.36 6.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.558 -0.747 . . . . 25.0 109.486 -174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.59 156.84 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.638 0.732 . . . . 25.0 109.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -86.64 138.05 31.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 25.0 109.364 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -49.5 66.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.779 0.323 . . . . 25.0 111.806 177.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.91 66.64 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.037 -0.528 . . . . 25.0 112.41 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -85.96 -38.55 17.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -54.68 18.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.451 -0.499 . . . . 25.0 110.809 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.06 -19.97 63.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -33.82 76.22 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.556 -0.715 . . . . 25.0 109.785 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -75.93 -24.77 55.53 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.734 -0.604 . . . . 25.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.45 -32.08 71.84 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.27 -32.16 60.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.899 -0.501 . . . . 25.0 110.182 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.47 -29.64 69.8 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.296 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.58 -50.81 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 173.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -37.96 89.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.129 -0.941 . . . . 25.0 109.627 -172.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.36 -47.24 77.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.584 -0.735 . . . . 25.0 112.309 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -82.22 -27.39 32.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.464 0.65 . . . . 25.0 112.291 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.5 78.55 62.3 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 122.944 0.498 . . . . 25.0 110.192 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.88 -19.04 40.96 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-O 121.477 0.532 . . . . 25.0 113.319 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -18.8 58.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -68.74 -52.21 18.86 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 121.496 -0.753 . . . . 25.0 112.201 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.93 -23.54 29.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 114.664 -3.091 . . . . 25.0 114.471 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.53 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 25.0 111.504 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.89 -10.6 59.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.58 25.12 34.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 117.688 1.835 . . . . 25.0 117.688 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -133.66 136.96 45.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.821 0.811 . . . . 25.0 110.282 -174.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' HB ' HG13 ' A' ' 103' ' ' VAL . 45.1 mm -111.69 111.58 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.965 1.364 . . . . 25.0 110.221 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -155.63 159.62 39.76 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.332 -1.304 . . . . 25.0 110.916 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.18 -29.92 46.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 111.812 0.301 . . . . 25.0 111.812 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -61.81 -33.44 74.13 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -85.29 -38.43 18.85 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.309 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -64.9 -30.7 71.71 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.14 -40.57 96.4 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.228 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -62.82 -25.53 68.3 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.38 -39.77 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.7 63.49 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -61.0 -38.95 87.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.9 -45.88 84.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.846 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.14 -38.96 93.26 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.91 -42.58 89.98 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.956 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.96 -45.63 84.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.569 0.699 . . . . 25.0 110.665 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.84 -36.14 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.97 -38.53 88.81 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.122 -0.362 . . . . 25.0 110.79 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.16 -35.24 76.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.096 0.474 . . . . 25.0 109.908 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.4 m -73.56 -43.27 60.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.16 1.31 7.16 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 -169.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.61 178.99 52.1 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 117.951 1.94 . . . . 25.0 117.951 172.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.69 -9.64 25.26 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.374 2.716 . . . . 25.0 115.147 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -83.34 -3.99 58.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.38 0.609 . . . . 25.0 111.305 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -123.9 -40.02 2.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.4 -0.818 . . . . 25.0 110.841 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.34 131.13 24.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 103.553 -2.758 . . . . 25.0 103.553 164.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.2 155.95 11.07 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 115.425 -2.583 . . . . 25.0 112.714 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -22.68 30.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 121.87 -0.519 . . . . 25.0 111.523 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -70.77 -23.1 62.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.531 -0.731 . . . . 25.0 111.008 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.84 85.55 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 120.021 -0.672 . . . . 25.0 110.247 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -71.14 -31.39 67.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.418 0.627 . . . . 25.0 111.138 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -71.79 -44.72 63.49 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.83 -42.29 95.05 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.555 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -58.47 -39.85 81.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.935 0.398 . . . . 25.0 111.535 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.7 -31.87 73.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 122.416 0.286 . . . . 25.0 111.142 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.93 -40.45 97.67 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.132 0.491 . . . . 25.0 110.028 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.3 -28.37 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.314 -0.555 . . . . 25.0 109.514 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.56 -46.61 86.53 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 122.071 -0.393 . . . . 25.0 110.039 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.26 -27.95 61.86 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.684 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.85 -41.12 83.42 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.187 -0.32 . . . . 25.0 111.7 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -77.4 -40.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.64 -0.424 . . . . 25.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.58 -36.02 79.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.238 0.542 . . . . 25.0 109.715 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -110.6 37.34 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.763 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -62.52 -22.44 66.29 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 120.907 0.384 . . . . 25.0 110.573 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.61 -34.27 69.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.66 9.25 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.526 0.679 . . . . 25.0 110.532 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -124.85 78.27 65.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -66.75 -19.77 53.03 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 116.881 -1.613 . . . . 25.0 114.654 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -66.32 -41.23 89.96 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -27.92 6.68 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.537 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.195 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 tpt -61.43 -41.69 97.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.978 0.808 . . . . 25.0 110.271 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.76 -25.54 66.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.429 -0.794 . . . . 25.0 110.556 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.1 46.5 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 51' ' ' ILE . 54.1 t -60.47 -51.15 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 175.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.245 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.31 -42.43 99.01 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.875 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.7 m -61.92 -41.91 98.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.61 -50.38 73.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.336 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.67 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.92 -22.34 65.96 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -68.65 -39.84 80.52 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.9 t -83.5 -54.81 4.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.664 . . . . 25.0 111.309 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.0 -157.95 0.1 Allowed 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.564 -1.198 . . . . 25.0 110.976 -171.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 50.36 38.65 18.47 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.916 0.709 . . . . 25.0 112.916 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -81.3 -14.15 57.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.6 m -126.85 149.49 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.61 158.7 21.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.488 0.661 . . . . 25.0 111.285 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.8 mt 53.35 -138.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.714 -1.13 . . . . 25.0 112.961 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 161.01 41.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -142.05 55.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -62.05 2.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -177.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -170.27 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 166.91 23.86 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -173.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -77.51 -40.74 41.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.821 0.343 . . . . 25.0 110.091 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--O 1.253 1.245 0 N-CA-C 101.127 -3.657 . . . . 25.0 101.127 178.391 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.244 0 CA-C-O 120.971 0.206 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -65.72 -37.98 87.93 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 122.458 -0.437 . . . . 25.0 111.491 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -75.26 -35.88 61.31 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -39.36 90.86 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.77 -0.581 . . . . 25.0 110.289 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -62.36 -32.36 73.14 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 171.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.71 -26.78 55.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.694 0.759 . . . . 25.0 110.236 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 79.74 8.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.31 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.75 -31.91 28.57 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.0 -28.73 70.3 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.383 -0.823 . . . . 25.0 112.936 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CE2' HD22 ' A' ' 15' ' ' LEU . 32.2 t80 -87.5 -36.8 17.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.0 -32.55 47.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -51.53 -49.05 62.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.169 0.588 . . . . 25.0 111.807 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -79.1 -36.02 41.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.802 0.334 . . . . 25.0 111.318 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 11' ' ' TYR . 24.9 tp -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.745 -0.597 . . . . 25.0 112.251 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -63.78 -39.23 93.76 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -69.04 -43.64 74.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.41 90.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.56 -40.56 95.16 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -66.43 -43.1 86.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -23.17 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.924 0.329 . . . . 25.0 111.383 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -71.05 -24.22 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.74 11.9 84.96 Favored Glycine 0 CA--C 1.511 -0.173 0 N-CA-C 111.381 -0.688 . . . . 25.0 111.381 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -84.56 145.98 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -115.43 84.39 2.09 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -134.76 135.29 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 104.45 -2.426 . . . . 25.0 104.45 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -64.86 146.31 55.06 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -43.88 72.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.527 1.306 . . . . 25.0 114.527 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.84 69.57 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.139 0.495 . . . . 25.0 111.579 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.31 -40.23 37.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.42 -55.39 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.452 0.644 . . . . 25.0 109.385 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.36 -19.85 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -65.31 -32.29 73.86 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.904 -1.123 . . . . 25.0 110.127 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -74.03 -23.85 59.47 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.339 -0.851 . . . . 25.0 110.984 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.46 -30.94 66.59 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.8 -33.11 71.92 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.6 -0.687 . . . . 25.0 109.926 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -64.17 -31.67 72.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 25.0 110.687 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.08 -48.94 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.237 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.51 -40.74 95.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.34 -0.846 . . . . 25.0 110.49 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -47.5 44.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.554 0.692 . . . . 25.0 111.072 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.4 m -124.73 80.16 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.203 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.47 -17.72 34.15 Favored 'Trans proline' 0 C--N 1.346 0.398 0 CA-C-O 121.725 0.635 . . . . 25.0 111.647 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -16.4 56.9 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.397 -0.819 . . . . 25.0 111.839 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.62 -50.62 35.04 Favored Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 120.885 -1.134 . . . . 25.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.9 -21.73 37.25 Favored 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 113.162 -4.092 . . . . 25.0 112.91 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -68.02 -36.15 79.46 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.474 0.31 . . . . 25.0 111.374 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.72 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.48 15.52 39.7 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 115.13 0.812 . . . . 25.0 115.13 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -133.51 135.66 44.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -124.0 102.77 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.723 1.249 . . . . 25.0 110.092 -172.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -140.44 162.93 34.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.87 -27.53 42.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -62.56 -42.7 99.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.725 -0.609 . . . . 25.0 110.722 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -83.01 -29.5 28.85 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.998 0.428 . . . . 25.0 110.341 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -65.62 -32.86 74.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.865 0.364 . . . . 25.0 110.204 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.81 -39.97 95.94 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 119.098 -0.477 . . . . 25.0 111.404 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -56.12 -32.28 64.08 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.31 -42.77 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.332 0.587 . . . . 25.0 110.609 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.7 -34.15 59.89 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.418 -0.896 . . . . 25.0 111.481 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -40.07 95.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.6 -44.7 93.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.518 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -62.34 -36.5 82.41 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.716 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.54 -43.11 81.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 25.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -36.63 84.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.747 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -68.11 -38.44 82.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.34 . . . . 25.0 110.602 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.61 -38.58 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.988 0.423 . . . . 25.0 110.581 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -76.91 -42.23 40.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.975 0.732 . . . . 25.0 112.975 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -112.84 -4.22 14.03 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 177.64 51.89 Favored Glycine 0 C--O 1.243 0.664 0 N-CA-C 115.114 0.806 . . . . 25.0 115.114 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.88 -5.28 16.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.889 2.393 . . . . 25.0 113.82 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.3 -25.69 60.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.271 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -107.76 -33.45 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.103 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.84 130.88 24.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 105.486 -2.042 . . . . 25.0 105.486 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -81.29 155.14 19.08 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 115.765 -2.357 . . . . 25.0 111.423 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.38 -20.73 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 121.664 -0.647 . . . . 25.0 110.659 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -75.27 -17.75 60.24 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.751 -0.593 . . . . 25.0 111.409 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.55 79.41 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.689 -0.632 . . . . 25.0 109.553 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -71.67 -30.06 65.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.127 0.489 . . . . 25.0 111.289 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -72.62 -44.55 61.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -62.87 -41.73 99.5 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.776 -0.647 . . . . 25.0 109.737 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.64 -38.96 86.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.977 0.417 . . . . 25.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 6.4 m-80 -65.28 -29.44 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.497 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.3 -43.54 94.42 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.52 -30.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.397 -0.815 . . . . 25.0 108.968 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 2.8 tttp -58.14 -43.74 87.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 118.705 -0.664 . . . . 25.0 110.031 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.55 -28.87 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.319 0.963 . . . . 25.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.41 -41.88 93.12 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.332 -0.248 . . . . 25.0 110.332 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.75 -42.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.77 -36.83 72.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.078 0.551 . . . . 25.0 109.832 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -117.05 34.69 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.522 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -64.74 -22.73 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.561 0.695 . . . . 25.0 109.754 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.83 -29.52 66.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.31 9.72 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.372 0.606 . . . . 25.0 110.748 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -125.58 81.15 65.18 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.17 -24.25 59.17 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 116.953 -1.565 . . . . 25.0 115.334 -174.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.01 -39.26 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.83 -27.77 6.7 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 C-N-CA 120.029 -0.668 . . . . 25.0 110.629 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.31 75.18 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.51 -30.68 63.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.63 -47.99 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.31 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.232 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.52 -38.28 90.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.3 m -67.48 -38.93 85.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -62.13 -42.14 98.95 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.104 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.47 -43.96 93.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.964 0.411 . . . . 25.0 110.442 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.11 -42.87 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.895 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -38.67 90.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.935 0.397 . . . . 25.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -66.64 -33.84 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -74.12 -29.64 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.666 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -67.44 -30.9 70.76 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 t 60.11 -166.05 0.2 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 122.336 1.065 . . . . 25.0 111.753 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -126.98 20.43 6.97 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.153 -1.385 . . . . 25.0 109.289 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -76.54 159.8 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.422 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.12 39.71 27.17 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.73 142.59 55.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.12 0.962 . . . . 25.0 112.483 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -106.62 -159.66 0.71 Allowed 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.913 -1.04 . . . . 25.0 111.101 -176.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.02 -42.25 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.722 2.119 . . . . 25.0 116.722 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -66.02 91.45 0.15 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.831 1.049 . . . . 25.0 113.831 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -60.11 142.04 54.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.308 0.575 . . . . 25.0 111.487 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -156.64 157.96 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.784 -2.302 . . . . 25.0 104.784 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -77.08 86.59 3.57 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 27.3 t60 . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 114.879 -2.486 . . . . 25.0 107.236 -169.076 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.269 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.84 -36.74 84.32 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.466 -0.432 . . . . 25.0 111.866 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -76.66 -29.36 56.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.095 -0.378 . . . . 25.0 110.187 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.94 -33.55 76.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.825 -0.547 . . . . 25.0 111.47 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -74.19 -3.83 32.19 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -116.56 -13.29 10.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.219 0.533 . . . . 25.0 110.36 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -78.34 98.4 5.95 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -46.81 -43.21 18.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -65.49 -33.57 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.191 0.812 . . . . 25.0 113.191 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -72.87 -42.32 63.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.98 -31.02 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.94 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.31 -52.39 65.46 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.66 -0.65 . . . . 25.0 111.263 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -69.39 -42.25 75.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.572 0.701 . . . . 25.0 111.468 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.81 -23.4 66.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -36.34 60.34 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.36 -47.75 11.95 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.141 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.35 70.42 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.141 1.163 . . . . 25.0 114.141 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.92 -39.79 90.73 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.02 -36.21 23.3 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.955 1.465 . . . . 25.0 114.955 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -66.34 -19.49 65.82 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -73.31 -17.15 61.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.994 0.426 . . . . 25.0 110.535 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.43 -4.54 72.3 Favored Glycine 0 C--O 1.238 0.37 0 CA-C-O 121.199 0.333 . . . . 25.0 113.003 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -89.37 130.88 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -88.65 84.29 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 m -131.41 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 110.607 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -90.82 161.43 15.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.95 -37.59 74.41 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 122.19 -0.319 . . . . 25.0 110.462 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.21 86.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 25.0 109.999 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.47 -40.51 80.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.2 tp -75.93 -54.27 7.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.14 0.792 . . . . 25.0 113.14 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.54 -20.02 66.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.62 -40.63 65.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.112 0.482 . . . . 25.0 110.076 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.71 -23.86 42.07 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.082 0.401 . . . . 25.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.08 -31.24 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.39 -21.21 39.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.98 0.419 . . . . 25.0 111.484 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.34 -26.92 65.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.182 0.515 . . . . 25.0 109.984 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.15 -45.4 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.09 -42.26 99.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.823 -1.08 . . . . 25.0 112.417 -168.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.87 -36.88 64.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 25.0 112.04 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -79.09 -37.23 39.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.526 0.679 . . . . 25.0 110.65 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.2 79.08 59.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.534 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.72 -14.89 30.23 Favored 'Trans proline' 0 C--N 1.344 0.316 0 CA-C-O 121.732 0.638 . . . . 25.0 111.926 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -14.66 47.92 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.635 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.66 -49.7 38.6 Favored Pre-proline 0 CA--C 1.536 0.438 0 O-C-N 121.104 -0.997 . . . . 25.0 112.082 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.7 -20.09 40.71 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 112.951 -4.233 . . . . 25.0 113.146 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.13 -26.88 65.11 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.68 0.392 . . . . 25.0 111.501 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.22 -19.26 63.16 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.103 -0.373 . . . . 25.0 110.162 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.21 15.74 38.75 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 116.316 1.286 . . . . 25.0 116.316 174.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 m -134.73 135.39 41.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.6 0.7 . . . . 25.0 110.231 -174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG13 ' HB ' ' A' ' 106' ' ' THR . 49.3 mm -107.76 111.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.673 1.225 . . . . 25.0 108.724 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -151.71 154.76 36.94 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.5 tp -68.58 -29.82 45.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.68 -0.691 . . . . 25.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -65.83 -34.17 77.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -83.54 -37.25 23.26 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.208 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -64.07 -30.33 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.707 0.289 . . . . 25.0 111.429 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.92 -42.24 97.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.28 -0.263 . . . . 25.0 110.418 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -55.95 -31.3 62.84 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.27 -40.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 25.0 109.537 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.43 -35.2 59.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -43.71 92.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.45 178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -62.41 -39.16 92.38 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.09 -39.63 82.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.684 0.278 . . . . 25.0 110.977 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -62.99 -47.46 83.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.77 0.795 . . . . 25.0 109.285 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -37.23 86.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.747 -0.661 . . . . 25.0 110.051 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -67.55 -36.41 80.91 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.27 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.428 -0.795 . . . . 25.0 110.186 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -69.61 -41.97 75.01 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.24 2.44 8.51 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.898 1.814 . . . . 25.0 115.898 -172.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.4 -175.27 54.84 Favored Glycine 0 C--O 1.242 0.623 0 C-N-CA 120.539 -0.839 . . . . 25.0 114.87 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.08 -5.5 17.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 121.862 1.708 . . . . 25.0 114.748 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.44 -6.4 53.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.582 . . . . 25.0 112.538 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -117.47 -36.11 3.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.763 -0.653 . . . . 25.0 112.6 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.39 130.89 24.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.53 158.32 14.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 117.152 -1.432 . . . . 25.0 112.137 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.28 -23.33 32.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.708 -0.62 . . . . 25.0 111.426 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -72.3 -21.23 61.37 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.53 -0.731 . . . . 25.0 111.231 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.21 86.85 Favored 'General case' 0 C--O 1.218 -0.583 0 C-N-CA 119.684 -0.806 . . . . 25.0 109.015 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -71.67 -32.1 67.5 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.011 0.434 . . . . 25.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.1 t -69.21 -46.98 66.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.77 -44.43 96.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -59.51 -40.48 87.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.45 -31.39 72.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 25.0 110.819 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.587 0.708 . . . . 25.0 109.745 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.72 -30.67 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.5 -46.13 89.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.89 -0.506 . . . . 25.0 110.004 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.2 -26.76 60.45 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.853 -0.739 . . . . 25.0 110.54 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.46 -40.89 89.63 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.043 -0.411 . . . . 25.0 111.437 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.9 mt -75.75 -41.72 40.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.27 -35.69 77.99 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.112 0.482 . . . . 25.0 109.862 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 44.1 mmtt -112.15 38.9 2.56 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.474 0.654 . . . . 25.0 112.481 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -62.99 -21.59 66.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.288 -0.869 . . . . 25.0 109.721 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.89 0.876 . . . . 25.0 113.244 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -114.19 9.07 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.657 0.741 . . . . 25.0 110.346 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -123.87 78.76 57.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.285 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.39 -17.79 54.22 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 116.746 -1.703 . . . . 25.0 113.141 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.8 -44.57 92.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.88 -25.22 6.97 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.18 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.575 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.48 -38.74 88.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.861 -0.524 . . . . 25.0 110.268 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.29 68.33 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.862 -0.524 . . . . 25.0 110.573 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.81 -29.98 50.94 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.58 -49.83 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.24 86.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.845 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.7 -35.62 81.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.4 m -63.34 -40.75 98.17 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.22 -40.27 95.56 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.211 -0.596 . . . . 25.0 112.091 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.45 -45.65 91.0 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 25.0 109.843 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.43 -41.11 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.459 -0.791 . . . . 25.0 109.735 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.69 -38.97 90.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.088 -0.383 . . . . 25.0 111.813 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -72.71 -20.88 61.13 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.646 0.26 . . . . 25.0 111.685 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 t -83.42 -16.35 46.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.539 0.685 . . . . 25.0 109.844 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -103.55 -163.64 1.0 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.0 p 58.63 2.29 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 117.658 2.466 . . . . 25.0 117.658 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -75.98 3.47 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.083 0.772 . . . . 25.0 113.083 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 p -101.52 119.84 39.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 110.751 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.79 131.0 35.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.304 -0.999 . . . . 25.0 108.304 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -157.72 159.29 36.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.61 84.11 4.74 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.83 0.824 . . . . 25.0 109.479 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -73.02 77.71 1.19 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -143.4 134.82 26.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.08 -0.964 . . . . 25.0 108.88 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.44 134.29 54.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.231 -0.285 . . . . 25.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -149.08 93.09 2.04 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 57.46 18.32 4.42 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.607 0.718 . . . . 25.0 111.917 -176.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 CA--C 1.507 -0.691 1 N-CA-C 98.668 -4.567 . . . . 25.0 98.668 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.33 0 N-CA-C 111.126 -0.789 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.79 -35.66 81.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.032 0.444 . . . . 25.0 110.722 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.37 -40.95 81.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.318 0.58 . . . . 25.0 109.896 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.9 -37.07 86.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.3 65.26 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -89.35 -20.85 23.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.152 0.501 . . . . 25.0 110.77 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 90.0 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -50.37 -36.34 32.07 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.065 1.506 . . . . 25.0 115.065 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -65.38 -29.94 70.71 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.449 -0.782 . . . . 25.0 111.645 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -79.55 -40.45 29.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 25.0 109.18 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.38 -39.83 70.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.093 -0.958 . . . . 25.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -57.3 -45.75 83.84 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.007 0.821 . . . . 25.0 112.634 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -66.96 -37.83 85.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 25.0 109.635 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -29.05 68.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.713 0.635 . . . . 25.0 112.713 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -59.99 -41.8 92.84 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.98 -45.18 59.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.355 -0.838 . . . . 25.0 110.082 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.92 99.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -40.43 96.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.68 -41.46 75.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 p -65.65 -23.62 66.84 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -73.18 -20.67 60.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.052 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.23 23.99 69.77 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 121.027 -0.606 . . . . 25.0 113.495 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.66 142.27 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.442 0.639 . . . . 25.0 109.914 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -81.23 84.44 6.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.785 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.17 128.62 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.13 140.57 48.91 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -49.07 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.34 72.57 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.373 -0.376 . . . . 25.0 111.309 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.73 58.35 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 121.185 -0.206 . . . . 25.0 111.113 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.99 -53.06 19.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.53 0.681 . . . . 25.0 109.419 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.56 -20.35 66.29 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -59.44 -40.21 86.06 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 109.889 173.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -76.51 -23.82 53.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.694 -0.629 . . . . 25.0 111.827 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.79 -30.28 68.82 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.76 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.127 -0.358 . . . . 25.0 110.067 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.87 -30.67 71.31 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.721 0.296 . . . . 25.0 110.69 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -64.42 -36.95 85.83 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.595 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.07 -57.44 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 -26.17 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.554 0.692 . . . . 25.0 112.176 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.6 m -127.84 77.34 76.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.44 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.62 -16.02 33.91 Favored 'Trans proline' 0 C--N 1.346 0.422 0 CA-C-O 121.608 0.587 . . . . 25.0 112.384 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -14.09 59.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.041 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -66.72 -52.32 34.53 Favored Pre-proline 0 CA--C 1.543 0.69 0 O-C-N 121.411 -0.805 . . . . 25.0 111.487 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -21.06 37.67 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.608 -3.795 . . . . 25.0 113.837 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.81 -37.56 86.59 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.172 0.189 . . . . 25.0 111.14 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.964 0.411 . . . . 25.0 109.95 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 17.44 49.17 Favored Glycine 0 C--O 1.227 -0.281 0 CA-C-N 116.102 -0.499 . . . . 25.0 113.848 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 m -126.86 122.35 34.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -117.66 102.53 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.738 1.256 . . . . 25.0 109.774 -171.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -141.61 165.59 27.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.74 -28.26 44.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.512 0.196 . . . . 25.0 110.717 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.92 -37.69 88.32 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.949 -0.469 . . . . 25.0 110.687 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.53 -39.84 44.66 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.874 0.368 . . . . 25.0 110.23 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -64.02 -31.7 72.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.967 0.413 . . . . 25.0 112.106 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.77 -41.82 98.19 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.292 -0.385 . . . . 25.0 110.644 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -57.32 -32.92 67.18 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.264 0.468 . . . . 25.0 112.264 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.54 -40.82 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.471 0.653 . . . . 25.0 109.755 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.06 53.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.431 -0.89 . . . . 25.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.89 -39.93 95.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.42 -46.43 88.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.272 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.5 -39.28 92.99 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -66.24 -44.48 83.61 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.457 -0.097 . . . . 25.0 111.126 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.22 -47.84 80.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.84 -32.27 73.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.769 0.318 . . . . 25.0 111.385 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -67.77 -48.32 66.69 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.733 -0.212 . . . . 25.0 111.069 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.37 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.172 0.511 . . . . 25.0 112.339 -173.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.2 m -56.35 -38.26 71.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.317 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -127.22 -48.11 1.46 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.77 -170.2 24.08 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 109.82 -1.312 . . . . 25.0 109.82 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.82 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.757 1.638 . . . . 25.0 114.45 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -70.73 -28.67 64.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -89.32 -39.73 13.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.28 130.87 22.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 78' ' ' THR . 72.4 Cg_endo -75.53 147.46 32.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 115.208 -2.728 . . . . 25.0 112.912 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.57 -22.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.954 -0.466 . . . . 25.0 111.759 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 76' ' ' PRO . 3.5 t -70.04 -23.28 63.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.548 -0.72 . . . . 25.0 111.17 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.17 86.66 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 119.763 -0.775 . . . . 25.0 109.892 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -70.97 -32.95 69.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.343 0.592 . . . . 25.0 110.705 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -66.89 -46.15 75.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.97 -40.41 91.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.912 -0.586 . . . . 25.0 110.663 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.76 -37.15 75.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.772 0.32 . . . . 25.0 110.938 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -67.96 -24.38 65.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 tt -70.32 -45.19 66.7 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.69 -29.1 25.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.603 0.716 . . . . 25.0 109.663 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -56.27 -52.13 65.63 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.467 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.21 -30.55 69.65 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.573 0.624 . . . . 25.0 111.238 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.49 -45.31 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 25.0 111.682 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.6 mt -80.31 -39.78 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.634 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.31 -32.33 68.37 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.485 0.314 . . . . 25.0 111.842 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -124.46 35.57 4.78 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.617 0.722 . . . . 25.0 111.886 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -57.77 -34.85 70.01 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.463 -0.789 . . . . 25.0 111.621 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.56 -17.93 64.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.38 9.56 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.327 0.584 . . . . 25.0 110.019 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -134.72 85.69 35.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.229 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.69 -20.25 46.77 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.22 -1.386 . . . . 25.0 114.744 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.57 -43.24 90.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 m -84.91 -28.39 6.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.793 -0.639 . . . . 25.0 110.622 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -37.41 87.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 25.0 110.237 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.0 -33.0 73.53 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.833 0.349 . . . . 25.0 110.191 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.36 -32.65 55.17 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.27 -48.35 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.68 95.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.946 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.24 -37.76 88.51 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.882 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.4 m -63.66 -42.63 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -60.7 -45.06 95.66 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.384 -0.526 . . . . 25.0 110.241 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -65.81 -38.95 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.25 -43.04 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.32 -42.49 92.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.352 . . . . 25.0 110.08 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -67.23 -26.94 66.84 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -84.48 -19.13 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.93 153.42 30.45 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 -167.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.3 p -90.1 2.05 55.69 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.097 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -97.32 19.51 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 m -127.71 147.71 50.4 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.54 138.82 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.84 0.352 . . . . 25.0 111.853 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 120' ' ' HIS . 3.9 mt 58.61 119.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 116.502 2.038 . . . . 25.0 116.502 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.44 -41.24 85.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.76 -1.109 . . . . 25.0 113.507 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 47.2 m80 57.22 -154.9 0.34 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -140.32 71.16 1.37 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.166 -0.959 . . . . 25.0 110.483 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 170.44 13.27 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.795 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -117.9 -44.84 2.7 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.108 0.255 . . . . 25.0 110.434 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -141.03 159.7 41.65 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.242 0.704 0 O-C-N 125.089 1.493 . . . . 25.0 113.026 179.224 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 111.784 -0.526 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -67.84 -28.41 67.53 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.422 -0.458 . . . . 25.0 112.045 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -73.91 -46.37 44.85 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -53.81 -35.33 61.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 -17.65 61.85 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -101.32 -17.91 16.32 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.54 0.686 . . . . 25.0 110.665 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -76.3 81.75 3.06 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -49.31 -32.41 11.0 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 115.921 1.822 . . . . 25.0 115.921 -170.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.75 71.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.364 -0.835 . . . . 25.0 111.905 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -78.21 -44.21 26.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.92 -32.01 51.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-N 114.74 -1.118 . . . . 25.0 111.298 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.98 -46.3 71.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.86 0.755 . . . . 25.0 111.375 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -77.85 -39.69 42.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.384 0.611 . . . . 25.0 110.686 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.51 -24.84 66.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -64.76 -37.02 86.2 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.42 -38.24 35.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.804 -0.634 . . . . 25.0 109.58 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.14 86.45 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.9 -41.49 96.17 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.75 -49.26 71.48 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.477 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -73.15 -19.54 61.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.116 -0.365 . . . . 25.0 111.863 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.474 HH11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -74.59 -24.37 58.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.389 -0.596 . . . . 25.0 109.389 175.465 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.08 10.85 85.92 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 111.693 -0.563 . . . . 25.0 111.693 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.79 114.62 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.203 1.001 . . . . 25.0 109.046 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -86.21 84.42 7.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.866 -175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.61 158.7 37.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.681 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -77.77 148.59 34.74 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 104.601 -2.37 . . . . 25.0 104.601 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -43.78 84.18 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.771 -0.58 . . . . 25.0 111.692 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.97 74.07 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.127 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -73.2 -45.67 54.93 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.71 -51.55 67.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.819 0.818 . . . . 25.0 110.137 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.95 -19.89 65.8 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -62.46 -30.71 71.44 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.099 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -76.05 -23.79 55.12 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.271 -0.893 . . . . 25.0 111.543 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -73.99 -17.73 60.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.94 -35.13 22.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.466 0.651 . . . . 25.0 109.915 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -64.34 -36.89 85.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -35.14 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 122.232 -0.293 . . . . 25.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.44 -39.84 88.95 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.7 -40.89 72.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.108 0.48 . . . . 25.0 111.424 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -73.97 -33.03 63.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.639 0.733 . . . . 25.0 110.123 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.03 76.17 40.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.39 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.45 -11.17 29.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.273 -0.685 . . . . 25.0 112.106 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 -10.82 48.35 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.345 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.2 -48.16 77.28 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 121.443 -0.786 . . . . 25.0 112.026 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.24 -17.71 39.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 113.74 -3.706 . . . . 25.0 113.802 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -71.74 -32.31 67.6 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.09 -25.72 63.65 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.1 13.2 19.19 Favored Glycine 0 C--O 1.223 -0.575 0 N-CA-C 116.769 1.468 . . . . 25.0 116.769 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.727 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 34.2 m -132.3 136.75 47.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.494 0.647 . . . . 25.0 109.789 -171.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.411 HG13 ' HB ' ' A' ' 106' ' ' THR . 48.5 mm -105.65 111.74 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.713 1.244 . . . . 25.0 108.73 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -149.88 162.64 39.93 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.19 -29.68 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 116.165 -0.471 . . . . 25.0 110.634 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -65.18 -39.1 92.45 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.509 -0.745 . . . . 25.0 109.708 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.727 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 1.9 mpt_? -70.79 -40.85 72.31 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.173 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -70.33 -32.48 70.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -64.97 -40.6 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.673 -0.642 . . . . 25.0 109.61 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -56.53 -28.39 59.85 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.27 -39.47 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.398 0.618 . . . . 25.0 109.538 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -36.41 77.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.786 -0.926 . . . . 25.0 110.786 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.69 -40.39 96.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.77 95.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.893 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.93 -41.7 98.26 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -67.06 -38.69 86.24 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.999 -0.28 . . . . 25.0 111.009 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.66 -44.52 93.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.895 0.855 . . . . 25.0 110.883 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -31.52 69.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.681 -0.691 . . . . 25.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -68.14 -41.35 81.76 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.804 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.28 -28.73 68.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.85 -0.531 . . . . 25.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.1 m -72.34 -36.78 68.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.25 -13.29 5.6 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.87 1.804 . . . . 25.0 115.87 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.04 -169.31 32.05 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 111.184 -0.766 . . . . 25.0 111.184 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.33 -3.64 13.36 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.624 1.55 . . . . 25.0 115.488 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.29 -22.17 63.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.135 -0.353 . . . . 25.0 110.937 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -101.28 -38.46 8.06 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 114.206 1.187 . . . . 25.0 114.206 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.63 130.95 23.61 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.3 157.84 17.24 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 116.306 -1.996 . . . . 25.0 111.841 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.68 -23.09 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.867 -0.521 . . . . 25.0 111.394 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -71.1 -23.78 62.17 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.654 -0.654 . . . . 25.0 111.319 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.75 84.44 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.859 -0.736 . . . . 25.0 109.953 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.24 -31.11 67.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.425 0.631 . . . . 25.0 110.261 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -70.43 -47.88 58.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.15 -40.14 96.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.009 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -58.35 -39.45 79.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.689 0.28 . . . . 25.0 111.006 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.14 -28.59 68.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.533 -0.303 . . . . 25.0 111.67 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HH11 ' A' ' 22' ' ' ARG . 2.6 tt -66.93 -40.32 87.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.185 0.517 . . . . 25.0 110.305 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.36 -30.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 25.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.9 -52.5 64.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.077 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.18 -28.37 67.22 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.288 -0.565 . . . . 25.0 111.054 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.14 -39.88 93.63 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.098 -0.376 . . . . 25.0 111.208 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.2 mt -77.69 -40.81 28.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -35.3 73.02 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.365 0.602 . . . . 25.0 109.407 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -113.13 34.46 4.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 25.0 112.112 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -66.0 -19.61 65.92 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.15 0.5 . . . . 25.0 110.318 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.7 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.795 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.91 8.55 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.527 0.68 . . . . 25.0 110.196 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -124.46 79.88 60.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -66.33 -19.64 55.71 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.509 -1.194 . . . . 25.0 114.523 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -65.26 -46.59 79.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 p -79.76 -28.21 12.69 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.306 0 C-N-CA 119.878 -0.729 . . . . 25.0 110.059 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.6 tpt -60.54 -39.41 87.81 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.663 0.665 . . . . 25.0 110.721 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.52 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.312 -0.868 . . . . 25.0 110.645 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 -30.49 46.06 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -47.48 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.93 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.53 -37.1 84.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.7 m -61.06 -42.61 98.81 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.65 -38.57 78.41 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.7 -44.52 93.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.771 0.795 . . . . 25.0 109.403 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.76 -34.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 25.0 109.996 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.31 -35.94 80.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.961 -0.462 . . . . 25.0 111.367 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -73.71 -26.21 60.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.547 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -83.52 -12.21 56.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.544 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.33 153.6 20.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.49 -0.777 . . . . 25.0 110.547 -176.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 t 69.05 157.36 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.449 1.1 . . . . 25.0 112.338 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -118.51 38.3 3.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.154 -2.165 . . . . 25.0 105.154 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.7 p 52.58 26.47 4.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 123.277 1.513 . . . . 25.0 113.846 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -80.4 50.75 1.32 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 112.131 -2.304 . . . . 25.0 109.652 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.2 mt -67.54 130.14 42.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.338 1.066 . . . . 25.0 109.32 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.06 166.92 21.62 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.122 -1.399 . . . . 25.0 110.872 -170.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.48 107.08 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.246 0.546 . . . . 25.0 110.629 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -120.72 149.95 41.72 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 112.113 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 49.07 39.13 14.32 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -124.14 150.99 44.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -140.03 -78.93 0.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 p80 . . . . . 0 C--O 1.24 0.589 0 N-CA-C 101.48 -3.526 . . . . 25.0 101.48 160.735 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.207 0 N-CA-C 110.182 -1.167 . . . . 25.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.17 -35.6 80.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.331 -0.511 . . . . 25.0 110.248 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -33.99 74.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.97 -37.19 85.36 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 25.0 109.978 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -71.61 -17.01 62.3 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 175.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -95.73 -21.29 18.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 25.0 109.888 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -82.24 100.77 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.26 -40.61 64.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -40.84 93.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.989 0.423 . . . . 25.0 111.735 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.34 -45.03 61.69 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.88 -41.43 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.128 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.28 -43.14 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.126 0.417 . . . . 25.0 112.126 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -37.93 57.81 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -23.49 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.63 -40.54 72.29 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.76 -34.58 30.34 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.353 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.87 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.34 -41.15 98.85 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -68.5 -42.4 78.65 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 t -69.79 -15.88 63.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.752 0.31 . . . . 25.0 111.463 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -21.52 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.277 -0.264 . . . . 25.0 110.764 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -2.86 71.17 Favored Glycine 0 C--O 1.235 0.217 0 CA-C-O 121.399 0.444 . . . . 25.0 112.263 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.01 124.53 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -85.85 84.4 7.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.87 148.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.175 0.512 . . . . 25.0 109.981 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.31 136.85 44.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -48.75 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 25.0 111.52 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.12 75.39 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.045 -0.525 . . . . 25.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.35 -40.87 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.281 -0.168 . . . . 25.0 110.754 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.46 -52.77 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.429 0.633 . . . . 25.0 109.551 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.71 -22.59 66.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -30.25 71.36 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.893 -0.504 . . . . 25.0 110.566 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.65 -27.06 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.77 -0.581 . . . . 25.0 111.556 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -73.68 -27.75 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.222 -0.591 . . . . 25.0 110.143 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.25 -21.44 56.35 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.854 0.359 . . . . 25.0 110.35 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.62 -37.4 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.714 0.292 . . . . 25.0 110.877 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -26.77 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.934 -0.479 . . . . 25.0 110.336 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.68 -39.44 91.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.588 . . . . 25.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.44 -52.37 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.226 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -73.09 -25.85 61.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.56 76.16 78.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.0 -14.64 32.29 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 CA-C-O 121.684 0.618 . . . . 25.0 112.295 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -13.02 54.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.059 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -65.65 -51.15 51.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 121.569 -0.707 . . . . 25.0 111.374 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -70.38 -20.67 31.6 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 113.962 -3.559 . . . . 25.0 113.784 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -66.14 -43.54 86.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.93 -37.12 85.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.52 33.23 75.76 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.78 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.41 ' HB ' HH11 ' A' ' 55' ' ' ARG . 88.2 m -129.5 132.14 46.82 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.434 HG13 ' HB ' ' A' ' 106' ' ' THR . 47.1 mm -111.24 107.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 123.218 1.485 . . . . 25.0 110.655 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -155.1 164.49 38.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.529 -1.669 . . . . 25.0 108.033 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.25 -28.63 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.479 -0.328 . . . . 25.0 110.464 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.24 -38.4 86.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.05 0.452 . . . . 25.0 109.891 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.0 OUTLIER -78.0 -41.15 36.81 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.004 -0.544 . . . . 25.0 110.207 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -64.77 -31.05 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -62.63 -41.67 99.16 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.027 -0.421 . . . . 25.0 111.459 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -56.69 -31.36 64.39 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -39.42 82.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.484 0.659 . . . . 25.0 109.662 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.53 -35.83 62.77 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.466 -0.873 . . . . 25.0 110.959 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -62.63 -39.41 93.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -45.0 92.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 25.0 111.635 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -64.04 -37.63 88.15 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.306 -0.558 . . . . 25.0 109.731 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -64.31 -42.4 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.511 0.196 . . . . 25.0 110.668 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.55 -47.57 75.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.879 0.847 . . . . 25.0 110.31 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -37.3 80.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.016 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.66 -39.6 73.51 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.421 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -32.95 70.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.261 -0.899 . . . . 25.0 110.189 -177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 m -66.19 -41.21 90.52 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -125.75 1.9 7.46 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.427 2.01 . . . . 25.0 116.427 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.29 -173.76 55.13 Favored Glycine 0 C--O 1.244 0.725 0 O-C-N 121.721 -0.612 . . . . 25.0 114.472 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.09 -9.69 26.05 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.777 1.652 . . . . 25.0 113.736 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.76 -19.63 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 25.0 110.41 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -106.84 -44.48 4.42 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.48 130.87 24.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.988 -1.856 . . . . 25.0 105.988 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HB2' HG22 ' A' ' 78' ' ' THR . 92.8 Cg_endo -82.05 152.05 16.37 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 115.055 -2.83 . . . . 25.0 112.831 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.35 -20.75 27.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.856 -0.527 . . . . 25.0 111.443 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 76' ' ' PRO . 11.0 t -70.97 -23.58 62.24 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.533 -0.73 . . . . 25.0 111.061 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.06 86.34 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 119.865 -0.734 . . . . 25.0 109.309 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.91 -32.94 67.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 25.0 110.68 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -46.3 73.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.415 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.2 m-85 -64.61 -43.5 93.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.891 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -56.57 -38.29 71.76 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.237 -0.289 . . . . 25.0 111.033 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -69.2 -32.01 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.854 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.56 -41.92 98.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 82' ' ' TYR . 4.1 mp -79.77 -30.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 121.879 -0.513 . . . . 25.0 110.047 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -56.07 -49.92 72.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.881 -0.512 . . . . 25.0 109.973 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.98 -28.47 64.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.15 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.88 -43.46 88.26 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.173 -0.329 . . . . 25.0 110.967 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.91 -39.3 37.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 120.851 0.358 . . . . 25.0 110.3 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.06 -35.7 79.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.82 38.9 2.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.418 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -59.3 -24.28 63.15 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.008 0.432 . . . . 25.0 111.682 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.89 -42.37 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.747 0.819 . . . . 25.0 112.824 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.3 9.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.351 0.596 . . . . 25.0 110.784 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -124.6 77.87 63.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -66.92 -18.17 52.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.17 -1.42 . . . . 25.0 114.509 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -67.59 -48.5 66.66 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -26.0 21.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.366 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -37.2 86.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 25.0 109.697 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.86 -28.85 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 25.0 110.285 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.36 -28.39 47.12 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.861 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.72 -53.26 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.73 87.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.038 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.41 -38.84 92.69 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.725 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.434 ' HB ' HG13 ' A' ' 51' ' ' ILE . 27.1 m -67.19 -42.78 83.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.99 -43.68 91.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.384 -0.198 . . . . 25.0 110.972 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.53 -40.86 98.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.245 -0.284 . . . . 25.0 111.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.32 -41.56 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.31 -37.74 88.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.118 -0.364 . . . . 25.0 110.816 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -79.04 -20.04 49.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.3 t -69.75 -25.18 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.125 -0.695 . . . . 25.0 109.125 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -85.47 138.61 32.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 t -150.64 160.51 43.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -83.15 76.72 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 173.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.4 p 56.39 -171.6 0.08 Allowed 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.079 1.352 . . . . 25.0 113.678 -173.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -153.36 160.89 42.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.25 142.82 44.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.82 71.22 3.35 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 123.14 1.447 . . . . 25.0 112.376 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 24.64 5.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 174.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -123.12 163.74 19.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -131.2 142.33 50.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -66.08 137.56 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.168 -1.419 . . . . 25.0 107.168 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -73.01 173.56 9.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 25.0 110.716 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 C--O 1.258 1.55 1 N-CA-C 99.101 -4.407 . . . . 25.0 99.101 165.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.111 0 CA-C-O 120.019 -0.323 . . . . 25.0 113.792 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -62.11 -45.19 94.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.576 0.688 . . . . 25.0 110.886 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.39 -26.08 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.856 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.85 -40.33 94.98 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.018 -0.426 . . . . 25.0 110.698 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -66.6 -15.57 63.55 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.6 -15.82 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.82 0.343 . . . . 25.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -83.63 90.52 7.28 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -48.87 -36.65 17.5 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.315 1.968 . . . . 25.0 116.315 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -60.3 -45.47 93.27 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.06 0.933 . . . . 25.0 110.736 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -70.59 -42.62 70.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.421 -1.263 . . . . 25.0 109.799 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.99 -37.91 50.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.127 -0.942 . . . . 25.0 110.985 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -58.52 -41.81 86.3 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.808 1.186 . . . . 25.0 113.278 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.472 -0.767 . . . . 25.0 110.889 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -29.67 69.93 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.168 0.509 . . . . 25.0 111.023 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.8 -41.79 98.18 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.595 0.758 . . . . 25.0 109.921 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -71.18 -39.04 72.1 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.32 93.0 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.13 -41.51 98.32 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -66.6 -43.08 85.79 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 t -73.6 -20.46 60.6 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.529 -0.468 . . . . 25.0 111.345 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -79.04 -25.67 43.2 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.96 11.0 81.31 Favored Glycine 0 C--O 1.238 0.353 0 CA-C-O 121.579 0.544 . . . . 25.0 111.779 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.43 130.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.539 0.685 . . . . 25.0 109.538 -175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -96.77 84.59 3.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.6 t -144.47 142.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -65.95 140.58 58.33 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -49.46 68.27 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.12 73.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.696 0.284 . . . . 25.0 111.479 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.62 -38.2 70.83 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.25 -51.74 66.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.766 0.793 . . . . 25.0 108.929 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.08 -20.55 65.83 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.499 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -66.02 -31.67 72.7 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.079 -1.013 . . . . 25.0 110.411 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -77.33 -23.85 50.87 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.291 -0.88 . . . . 25.0 111.456 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.82 -30.08 68.55 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 170.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.95 -33.59 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.264 0.554 . . . . 25.0 111.434 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -63.69 -24.41 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.661 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.5 t -58.35 -43.43 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 116.335 -0.393 . . . . 25.0 109.951 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.14 -36.3 82.78 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.342 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.63 -55.78 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -29.09 45.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -130.01 68.31 80.72 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.36 -0.382 . . . . 25.0 110.912 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.71 -14.57 36.42 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.799 1.038 . . . . 25.0 114.799 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -9.66 57.88 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -69.88 -52.84 12.61 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.531 -0.731 . . . . 25.0 111.379 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.03 -15.06 35.96 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 114.573 -3.151 . . . . 25.0 114.205 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -61.85 -37.4 84.38 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.955 0.407 . . . . 25.0 110.73 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -75.48 -24.92 56.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 25.0 110.747 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.98 27.03 59.13 Favored Glycine 0 C--O 1.228 -0.232 0 CA-C-N 115.684 -0.689 . . . . 25.0 114.41 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.8 m -128.99 129.02 44.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.17 90.61 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 123.644 1.687 . . . . 25.0 110.109 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -124.57 158.69 32.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 104.549 -2.389 . . . . 25.0 104.549 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 tp -62.61 -30.09 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -67.65 -32.99 74.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.76 -0.587 . . . . 25.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -81.18 -32.12 33.71 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -64.47 -27.29 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -53.98 -44.8 71.1 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -53.72 -32.97 54.02 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.74 -39.24 77.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 -176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.86 -35.18 51.21 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.07 -39.12 91.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -45.78 90.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.348 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.26 -38.51 91.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.17 -38.35 78.66 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 111.668 0.248 . . . . 25.0 111.668 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.03 -41.56 81.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.905 0.859 . . . . 25.0 110.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.04 -36.91 85.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.82 -37.75 82.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.456 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.96 -31.53 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.108 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.0 m -69.44 -46.91 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.19 1.04 6.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.236 2.31 . . . . 25.0 117.236 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.69 -170.29 51.61 Favored Glycine 0 C--O 1.242 0.625 0 C-N-CA 120.63 -0.795 . . . . 25.0 114.336 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.66 -7.16 20.62 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.162 1.908 . . . . 25.0 115.659 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.53 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.218 -0.301 . . . . 25.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -110.0 -37.69 5.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.62 131.15 24.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.46 152.75 26.75 Favored 'Trans proline' 0 CA--C 1.517 -0.367 0 C-N-CA 115.339 -2.64 . . . . 25.0 111.699 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.9 -20.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 121.831 -0.543 . . . . 25.0 110.644 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -73.14 -20.34 60.94 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.776 -0.578 . . . . 25.0 111.385 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.09 80.41 Favored 'General case' 0 C--O 1.221 -0.398 0 O-C-N 121.639 -0.663 . . . . 25.0 109.413 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -73.42 -30.35 63.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 25.0 111.08 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -71.09 -44.62 65.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.07 -45.36 95.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.618 175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.53 -39.23 79.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.95 0.405 . . . . 25.0 111.77 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -64.67 -29.81 70.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.356 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.94 -40.04 83.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 121.261 0.553 . . . . 25.0 110.442 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.85 -30.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 121.282 -0.887 . . . . 25.0 108.845 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -59.78 -46.86 87.87 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.858 -0.526 . . . . 25.0 110.355 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.17 -31.78 71.57 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.798 0.726 . . . . 25.0 109.846 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.04 -39.67 79.04 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 112.651 0.612 . . . . 25.0 112.651 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.12 -42.33 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.635 0.652 . . . . 25.0 109.646 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.64 -35.19 73.89 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.991 0.424 . . . . 25.0 110.211 -175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -116.63 36.75 4.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.488 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -64.62 -19.04 65.45 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.075 0.464 . . . . 25.0 110.202 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.15 -27.23 66.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.1 m -120.37 11.79 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.293 0.568 . . . . 25.0 110.996 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -124.71 77.92 64.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.24 -20.46 49.3 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.245 -1.37 . . . . 25.0 115.003 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.04 -44.56 95.54 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.47 -30.3 7.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.523 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -40.87 86.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.934 0.788 . . . . 25.0 110.633 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.14 71.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.141 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.03 -30.71 34.81 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.5 -49.3 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.75 96.29 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.268 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.14 -34.4 77.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 m -69.26 -39.0 78.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.94 -37.1 83.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 119.712 -0.185 . . . . 25.0 110.933 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.07 -50.67 63.33 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.37 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.44 -37.17 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.893 -0.594 . . . . 25.0 109.889 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.65 -30.52 71.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.439 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 18.0 mmtp -68.99 -31.15 69.78 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.56 0.618 . . . . 25.0 111.162 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.4 t -83.3 -17.98 40.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.976 -0.557 . . . . 25.0 111.897 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.26 147.57 46.3 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -172.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 p -73.13 115.98 13.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -46.0 -49.84 15.62 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 m 52.36 51.23 16.66 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.914 1.34 . . . . 25.0 109.287 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -111.47 160.92 16.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.575 -1.648 . . . . 25.0 112.053 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.3 mt 63.96 135.81 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 117.944 2.572 . . . . 25.0 117.944 175.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -173.53 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.775 -2.306 . . . . 25.0 104.775 175.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -115.26 50.6 0.97 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.637 0.653 . . . . 25.0 111.156 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -141.92 137.47 31.34 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.218 -0.301 . . . . 25.0 111.47 -174.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 55.33 -138.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 106.986 -1.486 . . . . 25.0 106.986 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.4 m80 49.28 59.01 4.77 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.932 1.086 . . . . 25.0 113.932 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.3 m80 62.53 -140.94 0.41 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.774 . . . . 25.0 111.163 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.296 0 N-CA-C 101.745 -3.428 . . . . 25.0 101.745 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.352 0 CA-C-O 119.739 -0.478 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.07 -34.69 78.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.739 0.769 . . . . 25.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -72.29 -35.73 68.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 25.0 109.822 178.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.56 -39.71 84.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -13.55 32.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 169.078 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -98.21 -17.52 18.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.703 0.763 . . . . 25.0 109.562 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -86.24 96.73 10.04 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 177.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.72 -38.95 57.43 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -176.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -58.4 -37.77 76.0 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.955 -0.466 . . . . 25.0 111.487 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.27 -39.39 54.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.35 0.595 . . . . 25.0 110.209 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.94 -42.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 115.669 -0.696 . . . . 25.0 112.019 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 119.267 0.939 . . . . 25.0 112.316 -178.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.316 0.579 . . . . 25.0 110.041 176.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -30.72 67.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.958 -0.464 . . . . 25.0 112.251 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.6 -40.48 87.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 174.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.93 -47.5 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 177.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.94 96.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.788 1.032 . . . . 25.0 113.788 -176.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 28' ' ' PHE . 3.3 mp -62.3 -40.85 97.64 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.41 -41.63 72.72 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 p -66.76 -30.69 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.737 0.303 . . . . 25.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -73.08 -25.86 61.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 25.0 110.048 176.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 7.55 73.95 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-O 121.542 0.523 . . . . 25.0 111.814 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.63 133.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -175.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -100.72 84.24 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.997 -170.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.22 139.44 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.22 138.07 58.23 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.421 -1.696 . . . . 25.0 106.421 176.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 19' ' ' LEU . 18.8 t80 -55.14 -48.01 74.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -35.18 76.01 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.826 0.346 . . . . 25.0 111.37 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -76.39 -28.37 56.69 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.708 -0.223 . . . . 25.0 110.687 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.89 -49.62 56.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 178.592 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.92 -35.04 75.66 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.843 -0.536 . . . . 25.0 110.455 174.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.85 -23.96 52.69 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.463 -0.773 . . . . 25.0 111.354 177.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.66 -19.94 60.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 173.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.95 -34.8 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.484 0.659 . . . . 25.0 110.246 177.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.57 -35.27 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -176.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.64 -35.04 68.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 O-C-N 122.068 -0.395 . . . . 25.0 110.164 178.023 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.82 -36.59 84.4 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.114 -0.366 . . . . 25.0 111.011 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.43 -53.52 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 25.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -73.88 -29.0 61.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.467 0.651 . . . . 25.0 112.64 -177.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.2 m -120.96 80.23 33.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.054 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.96 -13.37 31.6 Favored 'Trans proline' 0 C--N 1.344 0.318 0 CA-C-O 121.48 0.533 . . . . 25.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.77 -19.95 28.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.916 176.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.35 -46.18 90.1 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.99 -21.54 32.28 Favored 'Trans proline' 0 C--N 1.358 1.068 1 C-N-CA 112.8 -4.333 . . . . 25.0 113.662 177.061 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -75.65 -25.93 57.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.407 0.146 . . . . 25.0 111.165 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.1 -26.91 65.16 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.74 53.92 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.713 0.645 . . . . 25.0 114.713 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -129.37 128.86 43.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.358 0.579 . . . . 25.0 110.211 -174.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' HB ' ' A' ' 106' ' ' THR . 29.0 mm -113.36 111.36 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 122.902 1.334 . . . . 25.0 109.988 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -155.94 163.07 40.21 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.752 -1.567 . . . . 25.0 107.823 175.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.15 -32.79 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.358 -178.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -67.74 -29.85 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.894 -0.504 . . . . 25.0 109.679 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.36 43.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -61.27 -27.2 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 -177.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.38 -49.28 67.54 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.013 0.435 . . . . 25.0 109.856 177.316 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -59.84 -27.59 66.77 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.6 -40.1 83.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.46 0.648 . . . . 25.0 109.751 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -34.03 51.02 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.408 -0.901 . . . . 25.0 110.923 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 176.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -43.26 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.882 178.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.72 -35.0 75.24 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -67.97 -45.94 72.79 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.716 -178.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.44 -37.99 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.049 0.452 . . . . 25.0 110.506 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.19 -36.99 82.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -66.72 -39.82 88.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.641 175.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.3 -34.27 77.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.015 -0.428 . . . . 25.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 m -82.19 -42.19 19.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -117.11 2.72 12.67 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 -172.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.73 -175.26 53.61 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 116.175 1.23 . . . . 25.0 116.175 175.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.71 -13.21 34.48 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.696 1.598 . . . . 25.0 113.384 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.72 -15.22 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 25.0 110.873 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.79 -41.4 4.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.09 130.81 24.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.67 154.14 17.86 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 115.764 -2.357 . . . . 25.0 110.655 173.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.44 -20.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 121.453 -0.78 . . . . 25.0 110.889 177.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -75.55 -18.16 59.86 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.663 -0.648 . . . . 25.0 111.651 177.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.54 80.57 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.501 -0.749 . . . . 25.0 109.501 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.79 -31.61 70.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.56 . . . . 25.0 110.751 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -72.86 -45.02 60.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.51 -45.25 94.99 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 175.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -57.55 -38.36 74.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.754 0.311 . . . . 25.0 111.306 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.16 -34.19 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.808 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.96 -46.0 86.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.7 -32.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.52 -44.95 85.49 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 121.57 -0.706 . . . . 25.0 110.578 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.07 -24.57 60.69 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.242 -0.983 . . . . 25.0 110.815 -178.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.13 -38.8 79.03 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.166 -0.333 . . . . 25.0 110.693 177.08 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -78.18 -39.37 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.174 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.65 94.97 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 179.365 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -100.99 33.96 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.273 -176.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? -59.38 -26.84 65.45 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.003 0.43 . . . . 25.0 111.027 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -61.23 -33.99 74.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.988 1.107 . . . . 25.0 113.988 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.58 10.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.554 0.692 . . . . 25.0 110.436 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.05 77.83 66.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.19 -20.39 32.86 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 117.28 -1.347 . . . . 25.0 114.377 -176.347 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -69.2 -38.39 78.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.71 -28.64 6.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.838 178.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -60.38 -40.69 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.214 0.53 . . . . 25.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.02 -27.97 69.48 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.537 -0.727 . . . . 25.0 110.932 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 -30.43 35.7 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 122.123 -0.361 . . . . 25.0 110.529 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.2 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 175.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.632 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.73 -37.26 85.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' HG13 ' A' ' 51' ' ' ILE . 29.0 m -62.28 -40.87 97.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.493 -0.928 . . . . 25.0 108.493 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -63.41 -43.1 98.48 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.323 -0.551 . . . . 25.0 111.426 176.123 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.67 -43.36 97.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.348 0.594 . . . . 25.0 110.696 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.79 -43.59 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.79 -0.641 . . . . 25.0 109.494 -178.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.48 -41.64 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.02 -0.425 . . . . 25.0 111.809 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -68.82 -21.41 64.31 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.268 0.47 . . . . 25.0 112.268 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -80.48 -25.08 39.03 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.212 0.53 . . . . 25.0 110.963 177.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -91.43 84.64 5.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.681 0.753 . . . . 25.0 112.359 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 m -62.93 90.82 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.962 -1.017 . . . . 25.0 112.956 175.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -78.69 -23.97 45.3 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 175.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -143.36 -179.53 6.47 Favored 'General case' 0 C--N 1.319 -0.745 1 N-CA-C 99.374 -4.306 . . . . 25.0 99.374 175.112 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 50.1 t0 56.0 48.36 17.95 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.695 -1.594 . . . . 25.0 106.695 -174.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.43 159.45 21.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.47 -1.695 . . . . 25.0 111.184 -173.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 66.07 -24.96 0.1 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.893 2.182 . . . . 25.0 116.893 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -39.27 -40.73 0.8 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -134.93 40.63 2.91 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.883 -0.511 . . . . 25.0 111.998 174.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -122.58 -42.52 2.32 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 21.1 t60 55.6 42.54 29.45 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 178.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -82.39 -169.96 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.713 178.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 67.6 m170 . . . . . 0 C--O 1.254 1.31 0 N-CA-C 104.477 -2.416 . . . . 25.0 104.477 171.49 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.287 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -65.3 -39.96 93.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.95 -42.83 89.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.343 0.592 . . . . 25.0 110.587 179.298 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 106' ' ' THR . 2.3 mp -57.72 -39.46 77.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 176.082 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -62.42 -21.21 65.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.984 1.105 . . . . 25.0 113.984 174.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -95.63 -19.68 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 -176.199 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -85.98 87.53 7.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.156 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -40.5 9.58 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.729 1.381 . . . . 25.0 114.729 -178.312 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.81 -35.91 77.71 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 178.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -76.27 -38.93 55.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.43 0.633 . . . . 25.0 109.512 176.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.45 -36.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.805 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.9 -42.73 76.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 178.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -70.24 -39.03 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.815 -0.553 . . . . 25.0 110.237 178.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.83 -23.67 62.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.956 0.724 . . . . 25.0 112.956 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.57 -35.5 76.23 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 176.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -78.21 -45.7 22.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.79 81.33 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -175.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.96 -39.82 91.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.37 -48.43 64.77 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 t -69.94 -23.68 63.23 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -173.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -23.49 48.28 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 175.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.67 15.97 76.6 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.646 -0.981 . . . . 25.0 110.646 -176.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.89 93.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 123.607 1.67 . . . . 25.0 108.254 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.3 84.34 5.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.01 -1.45 . . . . 25.0 110.251 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.49 162.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.025 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -69.9 140.44 53.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 175.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -48.54 78.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.67 77.56 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.618 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -72.31 -28.37 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -56.78 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.801 -0.76 . . . . 25.0 109.106 176.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.32 -22.99 55.17 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.53 -37.8 65.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.471 0.653 . . . . 25.0 110.165 174.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -77.24 -23.78 51.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -67.38 -28.25 67.78 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 173.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -26.13 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.296 0.57 . . . . 25.0 111.13 178.073 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.68 -40.37 88.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.364 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -33.48 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.765 -0.584 . . . . 25.0 110.582 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.57 71.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -53.47 11.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -177.159 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.52 -29.25 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.795 0.807 . . . . 25.0 112.096 -178.038 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.55 77.82 55.1 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.597 -0.728 . . . . 25.0 110.651 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.26 -16.17 35.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 CA-C-O 121.687 0.619 . . . . 25.0 111.959 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 -17.82 58.77 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.961 176.004 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -53.61 27.35 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 121.427 -0.796 . . . . 25.0 111.376 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.48 -20.5 27.21 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.438 -3.908 . . . . 25.0 113.624 175.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.45 -36.19 83.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.031 0.443 . . . . 25.0 110.409 177.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -76.0 -23.53 55.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.847 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.41 24.61 52.71 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 114.636 0.614 . . . . 25.0 114.636 177.183 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 m -128.32 126.89 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -175.316 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.5 mt -119.22 101.07 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.919 1.342 . . . . 25.0 110.046 -175.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -141.69 164.26 30.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.422 -2.436 . . . . 25.0 104.422 176.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.5 -28.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.237 -0.185 . . . . 25.0 111.378 -177.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.78 -32.24 73.67 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.442 -0.786 . . . . 25.0 109.956 175.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -78.89 -41.47 29.63 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -68.91 -32.01 71.33 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -177.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -63.11 -39.44 94.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.36 -0.837 . . . . 25.0 110.516 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -57.76 -27.82 63.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.62 -39.47 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.559 0.695 . . . . 25.0 109.417 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.03 -35.02 58.05 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.674 -0.971 . . . . 25.0 110.674 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.75 -39.7 92.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.62 -43.83 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.851 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -62.22 -39.06 91.54 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.92 -43.04 89.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 -177.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.47 -44.35 82.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.587 0.708 . . . . 25.0 111.236 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.14 -34.7 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.178 0.513 . . . . 25.0 109.987 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.58 -38.32 80.58 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.223 177.17 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -67.47 -33.39 75.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.51 . . . . 25.0 109.756 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.5 m -71.39 -45.97 61.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -178.261 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.55 6.38 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.737 2.495 . . . . 25.0 117.737 -172.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.8 -172.23 55.17 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.869 1.108 . . . . 25.0 115.869 175.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -69.82 -12.36 32.64 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.998 1.799 . . . . 25.0 114.071 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.13 -18.37 63.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.341 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -113.02 -38.55 4.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -178.048 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.0 t -122.38 130.94 24.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 173.001 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.23 154.15 24.87 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 114.91 -2.926 . . . . 25.0 111.572 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.9 -21.68 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.71 -0.619 . . . . 25.0 110.849 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.93 -17.79 60.51 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.67 -0.644 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.01 77.36 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 120.226 -0.59 . . . . 25.0 109.627 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -71.03 -30.43 66.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 25.0 111.44 178.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.7 t -73.32 -44.76 58.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.62 -43.79 98.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.58 175.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -58.68 -37.46 76.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.779 0.323 . . . . 25.0 111.68 -179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.85 -32.36 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.221 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.29 -47.08 77.9 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.408 0.623 . . . . 25.0 110.401 178.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.42 -29.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -59.83 -46.53 88.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.698 -0.626 . . . . 25.0 110.527 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.02 -30.76 68.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.345 0.975 . . . . 25.0 110.227 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.05 -46.57 90.17 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 120.48 0.181 . . . . 25.0 110.922 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.27 -39.9 19.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.944 -178.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.03 -34.8 73.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.161 -0.337 . . . . 25.0 110.34 -176.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -114.52 32.34 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 178.21 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.56 -20.07 65.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.381 0.61 . . . . 25.0 109.955 176.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -59.63 -28.39 67.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.093 1.145 . . . . 25.0 114.093 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 m -118.8 10.66 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.334 0.588 . . . . 25.0 110.893 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.99 86.07 58.4 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.191 -0.459 . . . . 25.0 109.993 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -66.47 -21.62 53.0 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 117.034 -1.511 . . . . 25.0 114.374 -177.014 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -59.91 -46.05 90.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.88 -32.58 7.61 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.541 0 CA-C-N 115.367 -0.833 . . . . 25.0 110.365 -174.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -39.78 90.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.387 0.54 . . . . 25.0 110.486 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.94 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.99 -0.444 . . . . 25.0 110.388 176.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.6 57.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.42 -48.92 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 177.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.59 98.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.97 -38.8 92.55 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.534 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 5' ' ' LEU . 33.0 m -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.133 -0.627 . . . . 25.0 109.332 -178.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.49 -47.88 82.64 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.066 -0.654 . . . . 25.0 110.744 178.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.8 -35.33 79.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -177.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.5 mt -66.87 -40.0 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.45 -37.46 85.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.943 -0.473 . . . . 25.0 110.705 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.26 -26.49 65.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.785 0.326 . . . . 25.0 111.214 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -83.2 -20.68 34.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 178.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.28 171.87 14.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 25.0 109.584 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.8 t -137.08 147.14 45.91 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.98 4.63 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.366 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 m 66.3 143.74 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.869 1.268 . . . . 25.0 112.343 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -91.58 136.11 33.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.617 0.723 . . . . 25.0 110.404 -179.31 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.72 168.08 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 -179.218 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 126.12 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 178.532 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -152.01 36.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -5.93 95.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 116.904 2.187 . . . . 25.0 116.904 -174.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -123.96 135.35 53.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -174.194 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -68.73 136.28 52.59 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -135.85 -45.85 0.66 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 . . . . . 0 C--N 1.321 -0.654 1 N-CA-C 99.678 -4.193 . . . . 25.0 99.678 168.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.099 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.29 -37.55 85.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.919 -0.754 . . . . 25.0 110.326 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.91 -40.33 96.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.897 -0.502 . . . . 25.0 110.495 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.82 -19.14 65.68 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 172.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -92.9 -21.02 20.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -177.022 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -88.22 89.74 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.14 -29.29 63.48 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -173.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.78 -45.85 81.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.489 0.661 . . . . 25.0 110.312 174.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -69.81 -43.03 72.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.83 -42.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 24.4 tt0 -61.29 -44.09 97.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -177.056 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -39.81 80.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 178.327 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.86 -23.47 67.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -177.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 49.7 mttm -51.34 -36.04 41.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 176.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -77.86 -41.64 36.17 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 25.0 111.775 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -31.51 72.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.986 0.422 . . . . 25.0 111.564 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.9 -35.62 78.91 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 174.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? -78.54 -36.33 44.87 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -66.26 -11.74 52.11 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -175.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.789 ' HE ' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.9 -20.86 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.074 -0.391 . . . . 25.0 110.795 174.503 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.95 13.41 82.6 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.055 -0.593 . . . . 25.0 113.952 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.74 154.91 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 84.34 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.174 0.511 . . . . 25.0 111.273 -176.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.75 154.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.409 0.623 . . . . 25.0 109.692 176.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -104.67 157.33 17.26 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.18 -44.54 94.98 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.979 -0.451 . . . . 25.0 110.255 173.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.26 68.44 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 120.743 0.306 . . . . 25.0 111.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -76.65 -54.63 6.4 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.109 -0.701 . . . . 25.0 109.109 177.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -49.19 74.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.325 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.38 -22.14 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.836 -0.54 . . . . 25.0 112.182 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.04 -35.34 73.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.316 -0.553 . . . . 25.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.41 -23.78 54.03 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.533 -0.73 . . . . 25.0 111.88 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -75.42 -26.98 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.763 -0.585 . . . . 25.0 110.336 170.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.76 -33.98 73.16 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 172.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.65 -30.92 70.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.684 -0.235 . . . . 25.0 110.963 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.65 -46.7 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.215 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -62.22 -41.55 98.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.746 -0.661 . . . . 25.0 109.89 -173.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.32 -49.71 68.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.879 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -78.08 -29.15 48.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.505 0.669 . . . . 25.0 112.18 -176.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.09 75.62 78.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 122.8 0.44 . . . . 25.0 111.355 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.06 -15.18 32.3 Favored 'Trans proline' 0 C--N 1.343 0.281 0 CA-C-O 121.54 0.558 . . . . 25.0 112.47 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.88 -15.76 52.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.101 176.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -64.99 -52.65 47.73 Favored Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 121.46 -0.775 . . . . 25.0 111.09 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -70.0 -21.17 32.74 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 113.496 -3.87 . . . . 25.0 113.619 177.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.79 -38.78 89.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.608 0.242 . . . . 25.0 111.279 178.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 55' ' ' ARG . 38.1 mt-10 -77.87 -15.2 59.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.194 -0.316 . . . . 25.0 110.744 178.233 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.48 23.02 40.81 Favored Glycine 0 C--O 1.225 -0.462 0 N-CA-C 117.383 1.713 . . . . 25.0 117.383 171.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 m -127.19 133.18 50.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.881 0.84 . . . . 25.0 109.87 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.98 107.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 122.261 1.029 . . . . 25.0 111.134 -173.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.2 162.08 40.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 176.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.72 -31.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -178.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -66.18 -29.48 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.588 -0.695 . . . . 25.0 109.561 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 48' ' ' GLU . 32.9 mtt-85 -85.09 -38.46 19.08 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 111.371 176.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -64.24 -30.5 71.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.878 0.371 . . . . 25.0 111.379 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 72.0 mtt180 -59.87 -43.12 94.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.13 -0.356 . . . . 25.0 110.952 177.36 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.95 -29.22 65.01 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 175.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.8 -38.08 80.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.82 -34.33 53.41 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.044 -0.822 . . . . 25.0 111.044 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.59 -39.37 93.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 176.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.44 95.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.554 178.033 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.27 -34.89 79.15 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.348 -0.541 . . . . 25.0 109.922 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -69.42 -37.59 77.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.803 0.335 . . . . 25.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.89 -47.42 74.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 25.0 109.632 178.043 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.76 -32.62 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.834 179.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.32 -42.76 78.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.184 177.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -66.08 -24.22 66.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -172.509 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 m -58.05 -41.21 82.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.356 -178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.22 -44.67 1.57 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.99 -163.86 24.79 Favored Glycine 0 C--O 1.24 0.508 0 N-CA-C 111.826 -0.51 . . . . 25.0 111.826 -174.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.93 -10.81 29.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.366 1.377 . . . . 25.0 114.33 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.64 -20.56 59.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.25 0.548 . . . . 25.0 110.121 176.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.74 -44.76 7.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.006 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.33 130.84 23.66 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 105.4 -2.074 . . . . 25.0 105.4 175.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.83 153.31 29.38 Favored 'Trans proline' 0 CA--C 1.514 -0.477 0 C-N-CA 114.889 -2.941 . . . . 25.0 112.334 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.59 -21.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.812 -0.555 . . . . 25.0 111.46 177.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -71.05 -21.8 62.21 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.473 -0.767 . . . . 25.0 110.797 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.06 82.58 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 119.775 -0.77 . . . . 25.0 109.543 177.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -74.67 -29.05 61.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.867 0.365 . . . . 25.0 110.848 177.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.5 t -70.7 -44.67 66.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.79 -42.64 97.69 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.726 -0.67 . . . . 25.0 109.797 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.411 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 82.4 t90 -58.99 -38.65 79.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.073 -0.392 . . . . 25.0 111.324 178.237 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -66.45 -28.72 68.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.368 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 ' HE ' ' A' ' 22' ' ' ARG . 37.0 tp -64.6 -47.92 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 121.198 0.523 . . . . 25.0 110.276 176.116 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.55 -29.59 27.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 120.943 -1.098 . . . . 25.0 108.563 -178.392 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -59.4 -51.34 70.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 176.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -69.44 -30.34 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.68 -43.77 79.39 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 112.465 0.543 . . . . 25.0 112.465 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.61 -39.3 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.05 -27.54 68.96 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.106 0.479 . . . . 25.0 110.558 -178.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -123.64 36.28 4.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.413 177.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.55 -16.75 64.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.164 0.507 . . . . 25.0 111.975 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.85 -32.75 74.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.614 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.61 8.51 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.758 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -123.83 80.63 56.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 177.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.51 -20.98 53.64 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 117.141 -1.439 . . . . 25.0 114.683 -174.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -65.22 -49.05 71.16 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.7 -30.47 29.11 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 118.776 -1.169 . . . . 25.0 110.308 -176.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -40.67 91.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.642 0.655 . . . . 25.0 110.218 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 25.0 110.381 176.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.68 48.58 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.52 -47.96 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 177.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.81 73.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.458 179.436 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.71 -37.41 86.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.045 0.758 . . . . 25.0 113.045 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 m -67.92 -39.08 83.61 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.4 -40.25 96.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.044 -0.662 . . . . 25.0 110.942 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.22 -45.71 92.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.123 0.487 . . . . 25.0 109.824 178.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.31 -40.39 82.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.832 -177.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.72 -38.44 91.14 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.015 -0.428 . . . . 25.0 110.984 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -77.27 -34.18 55.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t -83.44 -49.43 9.31 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 50.99 -160.6 0.08 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.388 -1.278 . . . . 25.0 112.207 -170.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.6 t -157.76 175.71 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 178.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -85.01 53.6 2.8 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.482 0.658 . . . . 25.0 111.223 179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 m 50.44 61.11 3.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.34 89.13 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -112.22 -179.32 3.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 177.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 45.99 50.83 11.24 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 175.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.03 130.54 47.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 107.748 -1.205 . . . . 25.0 107.748 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 136.29 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.246 1.202 . . . . 25.0 114.246 -167.532 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 65.93 -179.71 0.2 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.342 1.057 . . . . 25.0 110.096 178.682 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 61.89 -177.46 0.13 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 -171.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -166.33 -43.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 174.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 100.981 -3.711 . . . . 25.0 100.981 165.078 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.293 0 N-CA-C 116.977 1.551 . . . . 25.0 116.977 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.31 -27.47 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.661 1.231 . . . . 25.0 113.325 -178.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.26 -31.11 60.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 177.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.99 -35.59 80.98 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.168 -0.333 . . . . 25.0 111.085 -176.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -18.17 57.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 173.317 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.47 -18.04 18.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 25.0 110.495 -178.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -82.03 92.47 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.114 -0.493 . . . . 25.0 110.69 -176.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.02 -39.01 65.75 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -173.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -56.25 -33.33 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -88.21 -40.3 13.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.51 . . . . 25.0 110.278 178.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.5 t -58.36 -32.47 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.767 176.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.96 -44.7 67.32 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.357 0.526 . . . . 25.0 111.356 175.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -72.24 -41.07 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.23 -24.81 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.74 -35.8 77.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 175.353 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -83.77 -40.5 18.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.454 176.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.78 78.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -175.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.28 -42.49 98.73 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.181 -1.415 . . . . 25.0 107.181 176.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -64.4 -43.91 92.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.749 -1.114 . . . . 25.0 112.068 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -20.02 61.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -175.107 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 173.526 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.09 19.7 78.61 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.186 -0.53 . . . . 25.0 111.91 -177.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 22' ' ' ARG . 11.9 p -102.04 119.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.391 1.091 . . . . 25.0 111.139 -174.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.38 84.41 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.653 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.07 153.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -69.91 133.59 47.49 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.789 -2.3 . . . . 25.0 104.789 176.203 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 -175.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.5 71.25 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.369 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.35 -40.78 64.15 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 110.209 -0.293 . . . . 25.0 110.209 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.1 -50.62 72.97 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.57 -30.6 71.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.584 -0.734 . . . . 25.0 112.736 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -63.65 -28.93 70.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.802 -0.561 . . . . 25.0 111.436 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.0 -24.14 59.54 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.107 -0.996 . . . . 25.0 112.039 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.29 -27.24 62.34 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.536 0.684 . . . . 25.0 109.703 169.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.32 -29.26 61.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.283 0.563 . . . . 25.0 109.592 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -67.76 -36.58 80.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.429 178.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -63.41 -23.51 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.909 0.385 . . . . 25.0 111.032 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.14 -35.68 79.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.04 -177.158 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.96 -39.2 66.38 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.692 0.758 . . . . 25.0 110.457 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -32.0 42.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.415 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -136.65 78.67 42.56 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.502 -0.772 . . . . 25.0 112.133 -175.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.87 -17.21 32.71 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 CA-C-O 121.7 0.625 . . . . 25.0 112.305 178.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -10.59 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.213 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -69.14 -53.01 14.55 Favored Pre-proline 0 CA--C 1.545 0.76 0 O-C-N 121.29 -0.881 . . . . 25.0 111.481 178.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.13 -20.96 37.1 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 114.486 -3.209 . . . . 25.0 113.544 176.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -62.59 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.95 0.405 . . . . 25.0 110.177 177.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -73.81 -38.06 64.69 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 25.0 110.078 176.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.95 32.85 67.15 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 116.302 -0.408 . . . . 25.0 112.203 -178.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -120.14 121.37 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 -178.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.1 103.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 123.167 1.461 . . . . 25.0 110.972 -171.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -143.82 167.55 22.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 103.585 -2.746 . . . . 25.0 103.585 175.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.17 -26.69 38.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.069 0.395 . . . . 25.0 111.311 -178.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -67.23 -33.44 75.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.564 -0.71 . . . . 25.0 109.556 175.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -81.57 -25.07 36.12 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.704 0.402 . . . . 25.0 110.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -86.22 -26.82 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.843 0.457 . . . . 25.0 111.819 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -56.75 -48.78 77.05 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -57.68 -23.11 49.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.96 -35.29 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.253 -1.017 . . . . 25.0 108.253 -175.157 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.23 -36.48 55.86 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.505 -1.038 . . . . 25.0 110.505 178.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.96 -38.46 91.17 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -41.37 96.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 25.0 111.587 176.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.46 -36.61 83.01 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.241 -0.652 . . . . 25.0 109.241 178.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -67.03 -39.59 87.02 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.989 0.18 . . . . 25.0 110.846 -177.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.75 -32.85 60.14 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.797 -0.761 . . . . 25.0 111.193 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.24 -37.6 87.76 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -67.68 -36.05 79.98 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.559 176.174 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.38 -34.5 78.3 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.817 -0.552 . . . . 25.0 109.799 177.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -77.28 -43.73 32.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -123.61 4.72 8.92 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 -173.282 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.62 -171.88 51.31 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 115.954 1.142 . . . . 25.0 115.954 176.062 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.11 -9.65 23.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.518 2.146 . . . . 25.0 115.619 -176.588 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.14 -26.86 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.984 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -94.82 -39.8 10.07 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.96 -0.296 . . . . 25.0 111.09 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.63 130.92 24.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 174.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.18 154.6 14.5 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.97 177.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.07 -20.8 27.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 121.689 -0.632 . . . . 25.0 110.652 176.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -74.33 -17.35 60.85 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.695 -0.628 . . . . 25.0 111.409 177.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.48 84.01 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.062 -0.655 . . . . 25.0 109.46 178.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.64 -30.12 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.166 0.508 . . . . 25.0 110.789 178.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -74.32 -45.09 49.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m-85 -60.41 -48.04 83.49 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 175.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -55.29 -38.95 69.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -67.68 -35.91 79.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.03 -177.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.68 -35.74 81.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.939 -178.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 82' ' ' TYR . 3.3 mp -83.83 -27.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 176.583 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -42.53 93.63 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.513 -0.742 . . . . 25.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.794 0.725 . . . . 25.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.08 -40.74 91.07 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.469 -0.145 . . . . 25.0 111.058 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.24 -40.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.163 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.52 -32.48 71.5 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.084 -0.385 . . . . 25.0 110.16 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -112.05 28.97 8.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -67.81 -18.98 65.02 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.345 0.593 . . . . 25.0 109.599 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.28 -32.14 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.929 176.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.53 7.46 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.586 0.708 . . . . 25.0 110.396 -178.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -124.88 82.62 60.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.75 -17.62 42.23 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.671 -1.086 . . . . 25.0 113.828 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -65.34 -43.22 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.71 -28.94 6.75 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.53 179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -60.39 -36.99 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 118.515 0.598 . . . . 25.0 109.937 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.2 71.32 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.062 -0.399 . . . . 25.0 111.244 176.119 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.88 42.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 178.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.87 -51.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.64 98.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 25.0 110.177 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -62.18 -39.23 92.01 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.171 -0.612 . . . . 25.0 111.324 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -66.71 -36.47 82.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.529 -0.732 . . . . 25.0 109.628 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -62.1 -41.91 98.68 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.03 -0.419 . . . . 25.0 110.419 175.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -65.61 -45.84 81.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.281 0.563 . . . . 25.0 110.996 177.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 mt -64.3 -39.04 84.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 CA-C-N 116.048 -0.524 . . . . 25.0 111.649 -175.425 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -37.34 86.01 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.551 -178.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.451 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 31.0 mmtp -81.74 -30.44 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 114.635 1.346 . . . . 25.0 114.635 176.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.7 t -80.93 -45.28 16.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.293 0.568 . . . . 25.0 111.581 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 48.3 31.44 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.396 1.479 . . . . 25.0 114.579 -175.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.4 t -81.18 76.86 8.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.613 0.721 . . . . 25.0 109.124 176.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.33 -26.99 69.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.167 -177.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.9 p -90.12 83.29 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.76 0.79 . . . . 25.0 111.429 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -95.95 12.03 31.8 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.347 1.07 . . . . 25.0 109.88 177.136 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 mt -72.61 134.83 45.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.68 -1.145 . . . . 25.0 109.077 -179.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.84 164.36 38.17 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -80.31 21.84 0.58 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.537 0.735 . . . . 25.0 110.978 178.397 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 127.64 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 25.0 112.065 -174.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -137.92 115.13 10.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.909 -176.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.72 147.24 46.72 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.575 -0.284 . . . . 25.0 110.467 -178.332 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -134.79 170.1 16.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.738 -1.578 . . . . 25.0 106.738 177.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.312 1 N-CA-C 98.028 -4.804 . . . . 25.0 98.028 170.833 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.17 0 N-CA-C 113.622 0.209 . . . . 25.0 113.622 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.16 -39.72 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 177.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -75.55 -38.29 59.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.622 -177.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 2.0 mm? -65.94 -38.19 87.98 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.818 -0.551 . . . . 25.0 111.25 176.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -68.77 -15.54 63.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 174.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -93.63 -21.32 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.42 0.628 . . . . 25.0 109.605 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.5 88.38 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 25.0 111.097 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -44.88 -43.76 9.1 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.307 1.595 . . . . 25.0 115.307 -175.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -42.46 99.39 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.736 -0.603 . . . . 25.0 110.583 -177.196 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.27 -44.27 75.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.312 177.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.83 -41.97 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.926 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.467 -0.771 . . . . 25.0 112.707 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -41.29 55.61 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.548 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.0 -23.5 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -52.28 -36.72 53.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.84 -50.57 12.02 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.678 176.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.7 98.98 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.859 1.429 . . . . 25.0 114.859 -176.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 178.152 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -68.73 -39.74 80.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 25.0 112.272 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -23.64 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.081 0.467 . . . . 25.0 112.016 -175.472 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.75 -16.88 58.11 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.905 -0.497 . . . . 25.0 111.392 176.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.69 1.19 61.19 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.956 -0.457 . . . . 25.0 111.956 -176.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -72.88 125.08 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.139 0.971 . . . . 25.0 109.493 -175.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -92.06 84.43 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.665 -176.021 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 m -133.27 157.48 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.483 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -83.57 144.02 29.76 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 104.83 -2.285 . . . . 25.0 104.83 176.022 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -49.74 65.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.65 70.09 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.782 -179.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.56 -36.31 44.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 25.0 110.408 -179.376 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.79 -53.81 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.434 0.635 . . . . 25.0 109.296 178.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.48 -19.93 65.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.087 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 2.3 pttt -61.41 -29.95 70.26 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.267 -0.895 . . . . 25.0 109.943 175.124 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 61.4 m-85 -80.24 -23.91 40.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.934 -0.479 . . . . 25.0 111.629 176.738 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.54 -31.91 70.39 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 171.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.07 -28.09 60.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.604 -0.685 . . . . 25.0 110.828 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -68.28 -27.96 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 25.0 110.325 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.44 -47.16 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 173.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -59.79 -45.0 93.67 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.811 -172.206 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -70.73 -26.95 63.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -97.24 -27.42 14.53 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.701 0.762 . . . . 25.0 111.921 -178.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.8 m -128.82 80.35 72.87 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 123.266 0.626 . . . . 25.0 110.779 -177.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.61 -17.22 33.88 Favored 'Trans proline' 0 C--N 1.343 0.258 0 CA-C-O 121.567 0.57 . . . . 25.0 111.984 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -12.31 60.01 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.242 176.171 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.18 -50.87 14.89 Favored Pre-proline 0 CA--C 1.542 0.653 0 O-C-N 121.081 -1.012 . . . . 25.0 112.511 -178.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.7 -20.6 40.04 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.449 -3.901 . . . . 25.0 112.96 175.008 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.59 -36.84 83.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.627 0.251 . . . . 25.0 110.79 176.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.8 -33.29 68.42 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.48 -10.34 1.03 Allowed Glycine 0 C--O 1.218 -0.848 0 N-CA-C 117.713 1.845 . . . . 25.0 117.713 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.0 m -99.51 137.13 38.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.208 0.504 . . . . 25.0 110.135 -174.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mm -106.29 113.2 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.62 1.2 . . . . 25.0 109.863 179.169 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.49 157.66 38.71 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 175.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.62 -32.05 56.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.289 -0.414 . . . . 25.0 111.056 -176.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -68.2 -30.11 69.12 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.565 -0.454 . . . . 25.0 111.427 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -82.93 -33.91 26.66 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -62.3 -27.28 68.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.413 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -54.54 -46.81 73.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.316 -0.253 . . . . 25.0 110.316 175.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -54.97 -31.93 61.16 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -177.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -70.67 -40.75 77.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.286 0.565 . . . . 25.0 109.974 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.38 61.19 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -62.36 -41.38 98.56 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -42.83 99.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.698 178.752 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -64.17 -38.55 91.46 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -67.41 -43.03 82.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.86 -0.155 . . . . 25.0 111.372 -177.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -59.9 -47.57 85.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.15 -37.89 84.56 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.063 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.92 -40.29 96.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -34.74 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.631 -0.668 . . . . 25.0 110.287 -178.662 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 m -69.38 -43.25 73.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.507 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 8.84 6.66 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 117.9 2.555 . . . . 25.0 117.9 -170.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.22 174.55 49.88 Favored Glycine 0 C--O 1.246 0.849 0 N-CA-C 117.674 1.83 . . . . 25.0 117.674 173.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.79 -14.54 39.23 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.733 2.289 . . . . 25.0 114.77 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -74.45 -15.78 60.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.109 -0.369 . . . . 25.0 110.441 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -99.44 -44.0 6.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.94 130.86 24.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 174.197 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.24 153.43 24.46 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.832 -2.979 . . . . 25.0 111.729 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.88 -21.12 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.899 -0.501 . . . . 25.0 110.584 176.242 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.78 -19.35 61.37 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.626 -0.671 . . . . 25.0 111.34 177.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.79 85.05 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.97 -32.53 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.131 0.491 . . . . 25.0 110.736 177.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -68.29 -45.27 73.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.88 -43.81 97.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.796 175.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -58.09 -39.62 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.351 . . . . 25.0 111.239 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.633 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.68 -41.26 83.95 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 121.442 0.639 . . . . 25.0 110.272 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.25 -29.88 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 178.521 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.13 -47.04 86.73 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.946 -0.471 . . . . 25.0 110.079 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.95 -29.27 65.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.827 0.74 . . . . 25.0 110.314 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.11 -40.57 90.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.725 177.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.0 mt -78.32 -43.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.294 -0.563 . . . . 25.0 109.872 178.159 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.78 -31.64 70.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 25.0 111.483 -175.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -117.03 33.87 5.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.53 -0.305 . . . . 25.0 111.171 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -64.71 -22.87 67.08 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.247 0.546 . . . . 25.0 109.858 176.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 4.4 pt-20 -60.66 -35.86 77.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.73 7.19 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.7 0.762 . . . . 25.0 109.527 -178.32 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -125.23 77.9 67.47 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.042 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.0 -16.95 54.42 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 117.26 -1.36 . . . . 25.0 112.682 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.53 -44.58 90.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.84 -25.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 120.596 -0.442 . . . . 25.0 111.845 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.04 -36.3 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.103 -0.373 . . . . 25.0 110.539 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.81 77.48 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.475 -0.765 . . . . 25.0 111.212 177.525 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -31.98 65.11 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.184 -0.323 . . . . 25.0 110.466 178.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.43 -51.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.041 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.17 92.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.286 0.565 . . . . 25.0 111.567 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.98 -41.29 97.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.039 -0.413 . . . . 25.0 110.806 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -61.9 -42.42 99.06 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.69 -50.35 68.48 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -77.23 -30.64 54.68 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.36 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 5' ' ' LEU . 63.7 mt -65.27 -38.31 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.2 -23.79 65.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.43 -35.29 70.89 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.157 0.503 . . . . 25.0 110.025 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.9 t -83.48 -23.86 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.283 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.15 176.63 9.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.755 -0.657 . . . . 25.0 112.039 -173.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.2 t 57.52 48.23 14.79 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 173.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.35 58.31 1.28 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.746 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 m 52.77 51.27 16.3 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.568 1.175 . . . . 25.0 112.377 178.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -133.58 107.14 7.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.628 -1.169 . . . . 25.0 111.415 -176.759 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.3 mt -123.84 147.02 47.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.724 -175.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 51.71 29.99 6.33 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 113.688 0.996 . . . . 25.0 113.688 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -7.01 7.95 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -115.47 115.65 26.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 172.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -52.15 129.58 28.04 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.233 0.54 . . . . 25.0 110.119 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.75 30.22 4.11 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -168.104 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 55.45 67.47 1.01 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 122.277 1.037 . . . . 25.0 109.627 -173.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 60.5 m170 . . . . . 0 C--O 1.261 1.707 1 N-CA-C 98.766 -4.531 . . . . 25.0 98.766 173.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.325 0 N-CA-C 112.12 -0.392 . . . . 25.0 112.12 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -56.69 -39.71 74.3 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 122.234 0.213 . . . . 25.0 110.443 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -85.79 -39.95 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.059 0.457 . . . . 25.0 111.692 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.72 -45.75 85.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.468 -176.281 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -57.4 -29.91 64.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 172.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -87.69 -19.27 27.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.331 0.586 . . . . 25.0 110.493 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -82.8 84.8 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -178.259 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.84 -33.39 56.13 Favored 'General case' 0 C--O 1.208 -1.113 0 N-CA-C 114.373 1.249 . . . . 25.0 114.373 -173.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -62.76 -36.84 84.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.609 1.095 . . . . 25.0 112.361 176.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -70.99 -46.24 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 176.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.38 -39.34 60.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 CA-C-N 115.813 -0.631 . . . . 25.0 110.939 177.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 62.5 tt0 -56.72 -44.79 81.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.452 0.701 . . . . 25.0 111.917 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -37.05 65.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.42 -23.52 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 59.7 mttm -56.04 -39.23 71.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.875 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -76.84 -43.86 34.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.257 -0.428 . . . . 25.0 110.744 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.35 87.33 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 176.053 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -71.13 -40.8 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -178.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -68.65 -25.52 64.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.398 0.544 . . . . 25.0 112.327 -177.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -73.09 -21.55 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.607 . . . . 25.0 109.422 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.99 11.29 85.53 Favored Glycine 0 N--CA 1.458 0.102 0 CA-C-N 116.369 -0.378 . . . . 25.0 114.041 174.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -96.88 118.22 42.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -176.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -79.25 84.51 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.378 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.71 155.98 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 175.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -75.7 138.78 41.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 25.0 109.21 -178.421 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -49.88 71.34 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.724 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.74 75.36 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.19 0.519 . . . . 25.0 109.987 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -75.97 -33.88 59.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -175.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -48.44 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.721 0.772 . . . . 25.0 109.016 176.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.97 -27.37 65.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.798 1.036 . . . . 25.0 113.798 175.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.07 -39.55 92.78 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.338 -0.545 . . . . 25.0 109.787 176.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.46 -23.75 53.86 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.809 -0.557 . . . . 25.0 111.579 178.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -64.6 -23.26 67.21 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 171.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.78 -35.2 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.775 -0.578 . . . . 25.0 111.085 176.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.65 -33.3 74.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.604 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -39.3 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 121.63 -0.669 . . . . 25.0 109.338 176.661 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -38.99 92.73 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.514 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -64.22 -38.43 91.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.923 0.392 . . . . 25.0 111.758 -179.087 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -87.38 -29.0 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.382 0.611 . . . . 25.0 111.728 -176.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -123.5 80.9 53.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.236 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -70.6 -16.86 34.07 Favored 'Trans proline' 0 C--N 1.344 0.293 0 CA-C-O 121.601 0.584 . . . . 25.0 112.626 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -16.88 52.99 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.251 177.055 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.43 -50.08 15.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.05 -20.22 38.48 Favored 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 113.034 -4.177 . . . . 25.0 112.677 176.315 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -31.8 73.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.569 0.348 . . . . 25.0 111.709 177.404 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.85 -21.73 60.89 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.295 -0.253 . . . . 25.0 110.658 178.453 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 24.68 53.93 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 113.996 0.359 . . . . 25.0 113.996 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -128.23 124.86 37.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.851 0.325 . . . . 25.0 110.236 -174.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.7 mm -110.44 112.01 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-O 123.064 1.412 . . . . 25.0 109.654 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -156.66 162.54 39.83 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 175.394 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.52 -29.15 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 116.554 -0.294 . . . . 25.0 110.45 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -65.01 -34.43 78.41 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.072 -0.393 . . . . 25.0 110.179 179.023 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -37.83 54.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.097 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.04 -25.7 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -55.82 -47.02 77.93 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.244 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -54.21 -33.77 59.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.808 -178.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.13 -39.92 82.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 25.0 110.013 -176.744 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.1 -37.19 60.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.35 -42.23 98.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -45.11 92.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.377 -0.829 . . . . 25.0 112.021 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.38 -40.53 96.77 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.107 -0.637 . . . . 25.0 109.368 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -66.75 -43.84 83.04 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.187 -175.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -66.42 -43.18 86.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.861 0.838 . . . . 25.0 110.986 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.66 -36.57 84.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.596 -0.729 . . . . 25.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -68.59 -38.77 80.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.574 -0.284 . . . . 25.0 110.781 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.84 -36.12 83.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.088 0.471 . . . . 25.0 110.007 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -82.58 -41.88 18.98 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -175.452 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -115.14 0.14 13.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.4 1.63 . . . . 25.0 115.4 -172.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.41 -177.34 51.2 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 116.718 1.447 . . . . 25.0 116.718 174.696 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.4 -15.94 34.77 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.112 1.875 . . . . 25.0 114.452 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.81 -20.18 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.15 0.5 . . . . 25.0 110.49 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -105.71 -36.45 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.46 130.82 23.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 173.263 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.83 153.38 22.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 114.831 -2.979 . . . . 25.0 112.1 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.35 -21.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.866 -0.521 . . . . 25.0 110.766 176.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -74.61 -17.68 60.67 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.725 -0.609 . . . . 25.0 111.207 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.8 -35.7 78.97 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.349 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.44 -33.14 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.173 0.511 . . . . 25.0 111.18 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.7 t -69.68 -44.69 69.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.67 -43.86 97.73 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.761 176.289 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.86 -37.43 73.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.852 0.358 . . . . 25.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -68.28 -34.84 76.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.411 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -62.56 -40.25 96.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.471 0.653 . . . . 25.0 110.435 178.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.06 -29.9 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.508 -0.745 . . . . 25.0 109.154 178.704 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -59.81 -45.74 91.42 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.494 -0.754 . . . . 25.0 109.839 178.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.11 -29.31 67.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.526 -0.734 . . . . 25.0 110.149 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.66 -45.62 74.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.44 -35.9 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.87 -39.06 93.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -110.87 38.77 2.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -68.29 -17.66 64.33 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.799 -0.637 . . . . 25.0 109.442 171.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.0 -30.02 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.048 177.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.52 9.07 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.438 0.637 . . . . 25.0 110.667 -178.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.25 84.45 59.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.47 -18.74 54.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 117.585 -1.143 . . . . 25.0 113.968 -176.677 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -64.84 -54.56 29.13 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 176.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -71.85 -27.15 26.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 C-N-CA 118.973 -1.091 . . . . 25.0 110.597 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -62.71 -36.66 83.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.755 -0.591 . . . . 25.0 109.854 176.716 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.19 70.45 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.688 -0.633 . . . . 25.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.36 43.46 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 99' ' ' VAL . 41.3 t -61.19 -48.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 177.441 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.51 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.773 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.64 -37.04 84.79 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -41.91 99.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -61.33 -42.79 99.25 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.741 175.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.81 -43.89 97.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.253 0.549 . . . . 25.0 110.42 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.65 -40.34 83.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.968 -178.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.05 -37.88 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.117 -0.364 . . . . 25.0 111.017 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -72.15 -24.38 61.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.826 0.346 . . . . 25.0 111.033 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 t -83.47 -12.99 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 176.521 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.54 -168.72 1.45 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -173.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.1 t -148.74 157.22 43.29 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.289 0.566 . . . . 25.0 111.752 -175.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -95.95 4.21 52.9 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.807 -0.633 . . . . 25.0 111.572 -179.329 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.7 p -76.23 160.23 29.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.275 1.583 . . . . 25.0 115.275 -173.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t0 59.52 27.59 16.79 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.97 2.211 . . . . 25.0 116.97 174.111 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.35 -22.45 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.428 1.585 . . . . 25.0 111.574 175.567 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.1 63.48 3.7 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 112.357 -2.201 . . . . 25.0 113.915 -174.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -74.85 130.78 40.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.295 -0.866 . . . . 25.0 113.223 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -126.02 -57.52 1.41 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.074 1.879 . . . . 25.0 116.074 -179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.449 ' CG ' ' H ' ' A' ' 123' ' ' HIS . 3.5 t-80 53.81 -153.88 0.26 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.088 0.555 . . . . 25.0 111.791 -177.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.449 ' H ' ' CG ' ' A' ' 122' ' ' HIS . 55.6 t-80 -138.82 149.21 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 -179.233 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -80.89 117.68 21.74 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 . . . . . 0 C--O 1.252 1.236 0 CA-C-O 115.851 -2.023 . . . . 25.0 106.325 -171.422 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.313 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.34 -42.37 99.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.524 -0.398 . . . . 25.0 111.324 179.199 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -30.03 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.905 -0.718 . . . . 25.0 110.393 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.84 -39.05 93.16 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.035 -0.415 . . . . 25.0 110.871 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -67.25 -15.54 63.76 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 175.003 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.07 -13.94 15.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.235 0.541 . . . . 25.0 110.615 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -80.06 85.15 5.68 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.05 -31.28 29.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -169.809 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.235 -0.916 . . . . 25.0 113.294 176.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.53 -39.97 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 177.033 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.6 -36.81 43.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.597 174.279 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.94 -49.03 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.243 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -70.6 -39.6 73.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.813 0.816 . . . . 25.0 110.36 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -23.6 66.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -178.067 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -55.59 -38.07 68.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.51 -39.47 27.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.845 -0.616 . . . . 25.0 110.283 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.14 96.39 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.99 -40.44 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -73.6 -44.07 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -176.044 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -65.52 -14.64 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.31 59.18 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.122 -0.361 . . . . 25.0 111.119 177.065 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.18 21.88 78.45 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.025 -0.607 . . . . 25.0 112.112 -177.565 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -119.34 139.07 47.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.478 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -76.92 84.86 3.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.77 147.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -104.7 165.09 11.3 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.33 -48.42 76.79 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 178.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.82 66.37 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.495 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.04 -39.16 17.1 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.944 179.141 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -74.23 -50.61 18.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.27 -19.98 65.97 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.298 -0.251 . . . . 25.0 111.361 -176.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -52.28 -41.44 62.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.168 0.509 . . . . 25.0 109.934 171.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -78.46 -23.94 46.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -70.59 -30.8 67.58 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 173.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 -29.27 45.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 121.141 0.496 . . . . 25.0 110.244 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.43 -35.07 78.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.316 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -65.62 -26.65 39.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 C-N-CA 120.493 -0.483 . . . . 25.0 110.543 178.607 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -66.14 -35.62 80.97 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 -175.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.68 -53.22 9.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 25.0 111.483 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -28.55 63.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.575 0.702 . . . . 25.0 112.751 -176.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -127.71 78.3 75.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.656 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.97 -14.83 32.49 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.688 0.62 . . . . 25.0 112.162 -178.272 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -14.59 50.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.907 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.98 -50.13 82.25 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 121.473 -0.767 . . . . 25.0 112.482 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.52 -23.24 27.56 Favored 'Trans proline' 0 C--N 1.356 0.97 1 C-N-CA 112.611 -4.459 . . . . 25.0 113.77 177.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.25 -27.88 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.59 0.218 . . . . 25.0 111.59 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.77 -20.83 65.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 176.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.41 46.36 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 116.271 1.268 . . . . 25.0 116.271 173.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.509 ' HB ' HH11 ' A' ' 55' ' ' ARG . 39.8 m -137.45 139.39 40.59 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 -172.381 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.91 118.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.164 0.983 . . . . 25.0 109.418 177.354 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -154.85 162.87 40.96 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -68.84 -30.15 45.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.415 179.451 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.4 -28.78 66.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.269 -0.894 . . . . 25.0 109.312 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.509 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.9 ttm180 -78.33 -43.32 28.13 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 177.798 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -68.5 -34.17 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 55.2 mtt180 -59.8 -42.78 94.19 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.998 -0.439 . . . . 25.0 110.662 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -57.19 -29.47 63.73 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -39.74 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.539 0.685 . . . . 25.0 109.178 178.703 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.33 54.3 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.484 -0.865 . . . . 25.0 111.313 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.33 -38.98 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.279 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.63 -45.66 89.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -36.79 80.95 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 179.418 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.42 -40.01 81.37 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.056 -177.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -72.26 -36.68 69.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.733 0.778 . . . . 25.0 110.85 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.08 -37.57 87.91 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 175.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -68.86 -36.66 78.4 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.877 176.191 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.86 -34.08 77.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.622 -0.674 . . . . 25.0 109.777 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -71.24 -42.38 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.103 0.779 . . . . 25.0 113.103 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.31 0.26 6.36 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 117.14 2.274 . . . . 25.0 117.14 -172.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 -165.44 53.8 Favored Glycine 0 C--O 1.244 0.775 0 C-N-CA 120.806 -0.711 . . . . 25.0 113.35 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.76 -7.96 22.54 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.14 1.227 . . . . 25.0 114.397 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.91 -7.85 54.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -118.99 -45.46 2.57 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.75 130.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.834 -1.913 . . . . 25.0 105.834 175.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.04 154.02 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 114.969 -2.887 . . . . 25.0 111.477 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -21.24 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.854 -0.529 . . . . 25.0 110.883 177.31 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.21 -20.33 60.23 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.772 -0.58 . . . . 25.0 111.262 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.74 80.32 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.729 -0.607 . . . . 25.0 109.685 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.12 -30.92 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 25.0 111.549 178.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -73.46 -45.08 56.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.95 -40.26 97.15 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.785 176.511 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.4 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 85.5 t90 -64.01 -40.21 95.83 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.194 0.521 . . . . 25.0 110.984 -179.388 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.31 -26.41 68.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.03 -49.6 75.37 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.57 -30.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.415 0.626 . . . . 25.0 109.854 -178.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.8 -50.47 66.06 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.068 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.15 -23.1 61.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.232 -0.587 . . . . 25.0 111.334 -177.163 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.06 -39.96 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.486 178.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.9 mt -77.37 -38.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.78 -26.08 67.0 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.872 0.367 . . . . 25.0 110.584 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -122.54 31.78 5.99 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -56.83 -30.54 63.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.086 0.772 . . . . 25.0 113.086 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 94' ' ' GLU . 2.4 pm0 -68.09 -24.31 65.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -173.794 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.62 10.95 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.16 78.21 75.74 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 121.45 0.643 . . . . 25.0 110.545 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.51 -21.16 40.5 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.413 1.274 . . . . 25.0 115.413 -173.169 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -65.14 -37.84 88.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.93 -27.53 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.009 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.198 0.523 . . . . 25.0 111.437 -175.508 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -26.28 66.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.881 -0.512 . . . . 25.0 110.41 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.32 -30.11 38.14 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 110.094 -0.335 . . . . 25.0 110.094 178.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.51 -48.86 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 176.169 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.59 86.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.324 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.65 -36.85 84.15 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.394 -0.522 . . . . 25.0 111.907 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.1 m -63.52 -43.27 97.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -60.75 -38.75 86.25 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.44 -0.504 . . . . 25.0 112.315 175.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -63.17 -48.27 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.699 0.761 . . . . 25.0 110.2 177.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.8 -36.98 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.546 -176.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.99 -25.46 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 -178.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -70.33 -31.36 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 25.0 111.218 176.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -83.62 -23.41 31.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.112 0.482 . . . . 25.0 111.131 176.239 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.59 176.52 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -177.288 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 m 58.96 8.33 0.96 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -176.199 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.05 52.5 2.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.66 0.743 . . . . 25.0 109.685 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.3 m 50.69 44.89 27.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.925 1.345 . . . . 25.0 111.607 -176.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -86.12 132.36 34.05 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.48 -1.236 . . . . 25.0 108.088 178.314 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.6 mt -122.2 135.32 54.75 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.327 0.584 . . . . 25.0 109.967 -176.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.46 130.74 39.42 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.014 0.911 . . . . 25.0 110.957 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -157.86 113.59 2.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.568 179.438 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -57.88 128.0 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -178.398 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -138.96 165.83 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 103.346 -2.835 . . . . 25.0 103.346 175.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.04 151.95 27.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.828 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -127.53 8.58 6.46 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.0 m170 . . . . . 0 C--N 1.321 -0.637 1 N-CA-C 97.997 -4.816 . . . . 25.0 97.997 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.46 0 N-CA-C 110.309 -1.117 . . . . 25.0 110.309 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.13 -35.4 80.63 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.553 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.91 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.117 0.485 . . . . 25.0 110.964 -179.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.99 -37.51 87.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.779 -0.576 . . . . 25.0 111.669 178.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.01 -15.66 62.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 173.639 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -94.66 -21.73 18.6 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.551 0.691 . . . . 25.0 110.37 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -84.26 88.73 7.25 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -50.16 -35.75 27.44 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 114.761 1.393 . . . . 25.0 114.761 -176.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -61.2 -38.82 87.92 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.574 -0.703 . . . . 25.0 111.37 177.207 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -70.42 -40.74 73.67 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 174.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.76 -39.38 79.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -57.37 -45.7 84.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.748 0.704 . . . . 25.0 111.023 178.242 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -68.18 -44.9 74.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.847 0.832 . . . . 25.0 111.13 177.091 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.75 -26.07 64.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -174.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -55.29 -45.21 76.21 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.119 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -76.57 -38.72 54.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.33 93.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -178.045 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -41.58 97.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.039 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -72.01 -38.67 69.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 t -70.77 -13.82 62.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.107 0.48 . . . . 25.0 111.645 -176.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -13.53 61.96 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.856 -0.528 . . . . 25.0 110.66 174.502 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.32 79.54 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.13 156.37 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -175.156 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -115.9 84.39 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.47 136.8 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.88 133.95 48.96 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 107.353 -1.351 . . . . 25.0 107.353 178.235 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -48.69 38.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -178.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.05 80.66 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.85 -34.68 66.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.35 -54.25 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.185 0.517 . . . . 25.0 110.303 178.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.01 -23.02 66.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -62.07 -38.06 87.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -77.82 -23.8 48.93 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.683 -0.636 . . . . 25.0 112.145 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.34 -33.16 75.31 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 171.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -25.38 53.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.969 -0.457 . . . . 25.0 111.529 178.617 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -66.57 -42.16 87.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.405 176.651 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.55 -34.72 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 177.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -41.75 96.55 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 111.357 0.132 . . . . 25.0 111.357 178.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -33.93 38.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.903 -0.719 . . . . 25.0 112.298 -177.305 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -74.09 -34.29 63.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.58 0.705 . . . . 25.0 110.017 179.098 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.87 80.51 49.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.079 178.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -70.26 -17.08 35.55 Favored 'Trans proline' 0 C--N 1.345 0.345 0 CA-C-O 121.606 0.586 . . . . 25.0 112.632 -178.321 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -14.57 58.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.857 176.315 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -68.71 -51.52 20.96 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 121.446 -0.784 . . . . 25.0 111.804 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -69.61 -22.83 32.19 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 113.764 -3.691 . . . . 25.0 113.703 175.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -63.74 -36.2 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.652 0.381 . . . . 25.0 111.443 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.54 -18.52 61.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.739 0.304 . . . . 25.0 111.277 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.16 58.29 Favored Glycine 0 C--O 1.218 -0.904 0 N-CA-C 114.678 0.631 . . . . 25.0 114.678 176.63 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -135.98 133.91 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.096 0.948 . . . . 25.0 110.321 -176.059 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 mm -115.09 114.59 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.579 1.18 . . . . 25.0 109.658 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -154.37 160.37 41.65 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.42 -1.263 . . . . 25.0 109.243 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.15 -31.68 54.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -67.32 -33.36 75.11 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -79.94 -36.97 35.48 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.636 -0.711 . . . . 25.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -63.73 -32.82 74.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.416 178.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -60.33 -43.14 96.69 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 119.449 -0.31 . . . . 25.0 111.391 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.16 -32.08 63.98 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 175.5 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.21 -40.15 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.357 0.599 . . . . 25.0 109.884 -178.785 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.62 55.75 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.848 -0.901 . . . . 25.0 110.848 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.03 -40.73 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.385 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -44.88 95.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 25.0 111.975 178.767 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.31 -38.2 82.93 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.601 -0.44 . . . . 25.0 109.998 177.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.78 -43.77 71.49 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.1 -0.24 . . . . 25.0 111.071 -177.01 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -62.32 -42.33 99.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.275 0.559 . . . . 25.0 109.941 178.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -39.62 91.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.038 0.446 . . . . 25.0 110.03 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -64.21 -38.95 92.87 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.563 -0.289 . . . . 25.0 110.385 177.347 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.26 -29.79 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.915 -0.49 . . . . 25.0 111.226 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -70.05 -42.28 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -177.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.33 -3.94 6.15 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 116.345 1.98 . . . . 25.0 116.345 -174.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.23 -170.9 45.49 Favored Glycine 0 C--O 1.243 0.658 0 C-N-CA 120.553 -0.832 . . . . 25.0 113.159 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.14 -7.75 22.05 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.744 1.629 . . . . 25.0 115.663 -175.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.08 -22.8 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.485 177.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.8 -38.11 9.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.673 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -127.16 130.98 23.65 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.95 152.73 24.96 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 115.759 -2.361 . . . . 25.0 111.654 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.68 -22.75 31.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 O-C-N 121.763 -0.586 . . . . 25.0 110.849 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -69.68 -19.49 63.59 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.871 -0.518 . . . . 25.0 111.204 177.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.72 69.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.941 178.324 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -81.58 -31.12 32.72 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -177.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.317 -1.31 . . . . 25.0 109.799 178.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.7 -43.95 91.84 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.494 176.218 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -55.49 -42.01 73.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 25.0 111.068 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -66.58 -28.0 68.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.821 0.675 . . . . 25.0 112.821 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.02 -41.25 82.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.485 0.659 . . . . 25.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.08 -30.95 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 178.13 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -56.59 -51.63 67.91 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -66.9 -26.96 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.644 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.31 -43.37 81.83 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.215 -0.303 . . . . 25.0 111.151 177.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.52 -39.1 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 178.524 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.89 -30.83 68.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.267 0.627 . . . . 25.0 110.832 -178.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.9 33.79 5.47 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.42 0.526 . . . . 25.0 112.42 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -62.98 -20.48 65.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.959 0.409 . . . . 25.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.02 -40.48 95.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.496 0.718 . . . . 25.0 112.411 -179.152 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.93 8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.424 0.631 . . . . 25.0 110.446 -177.596 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -129.02 80.43 72.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.169 179.424 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.2 -18.33 39.7 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.581 -1.146 . . . . 25.0 113.957 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.69 -42.28 95.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -84.74 -26.2 6.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 C-N-CA 119.264 -0.974 . . . . 25.0 109.899 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttp -63.44 -36.2 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -177.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.7 69.31 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.655 176.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -27.21 60.62 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.6 -47.84 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 175.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.64 79.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.45 -36.42 82.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.099 -0.24 . . . . 25.0 111.509 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -57.7 -44.2 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -62.07 -45.0 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.305 0.574 . . . . 25.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.14 -38.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.036 -177.06 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.264 -0.272 . . . . 25.0 110.381 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -66.16 -32.43 73.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.858 0.361 . . . . 25.0 110.927 178.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -71.89 -18.08 62.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.059 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.73 -8.8 30.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.33 -178.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.0 m -60.12 123.26 16.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 57.24 22.74 7.97 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 173.253 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 t -63.68 149.66 46.09 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.007 0.432 . . . . 25.0 109.876 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.35 -134.84 0.33 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 119.016 -0.516 . . . . 25.0 110.566 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.54 -62.81 0.09 Allowed 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 119.023 2.972 . . . . 25.0 119.023 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.14 -35.06 70.97 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 113.275 -1.784 . . . . 25.0 111.652 -179.321 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.14 19.42 7.38 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.7 -174.44 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.25 137.9 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -173.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 14.85 2.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 117.187 2.291 . . . . 25.0 117.187 176.173 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -79.02 97.84 6.24 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.85 -1.156 . . . . 25.0 111.22 179.566 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.6 t60 56.15 29.69 15.14 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.205 1.002 . . . . 25.0 112.645 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.253 1.272 0 N-CA-C 101.194 -3.632 . . . . 25.0 101.194 175.138 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.177 0 N-CA-C 112.212 -0.355 . . . . 25.0 112.212 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.11 -33.57 74.7 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 120.599 0.238 . . . . 25.0 111.529 178.045 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.62 -38.12 73.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.33 0.586 . . . . 25.0 110.473 178.317 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.49 -34.5 76.02 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.652 -0.655 . . . . 25.0 111.039 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -78.82 -15.13 58.77 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.116 -0.365 . . . . 25.0 111.906 174.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -85.93 -30.26 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 177.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -76.28 92.42 3.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.795 179.123 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -48.28 -36.7 14.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.42 -35.0 73.18 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.673 0.749 . . . . 25.0 111.836 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.7 -36.26 23.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.357 -0.838 . . . . 25.0 109.781 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.37 -36.64 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.059 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -53.87 -45.2 70.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.372 0.606 . . . . 25.0 111.004 175.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.497 HE22 ' HB3' ' A' ' 101' ' ' ALA . 3.3 mt-30 -75.63 -40.12 56.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.757 179.068 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.03 -24.97 66.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.96 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 176.058 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.76 -41.69 18.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 176.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.33 75.97 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.214 1.19 . . . . 25.0 114.214 -177.144 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.45 -40.99 96.52 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.72 -40.6 79.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -178.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -71.81 -18.87 62.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.486 0.585 . . . . 25.0 111.56 -175.365 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HD3' HD21 ' A' ' 89' ' ' LEU . 23.6 mmm180 -73.54 -23.88 60.05 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 121.038 -0.265 . . . . 25.0 110.575 173.813 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.99 5.0 74.11 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 111.796 -0.522 . . . . 25.0 111.796 -176.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -84.84 124.87 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.74 -1.208 . . . . 25.0 107.74 -176.487 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -80.9 84.35 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.531 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.76 148.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 25.0 109.854 176.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -79.5 156.06 27.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -44.45 90.46 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.467 175.676 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -39.03 80.68 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.745 0.307 . . . . 25.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -68.79 -38.94 80.32 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 -176.492 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.08 -54.13 10.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.479 . . . . 25.0 110.842 -178.127 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.05 -20.03 66.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.016 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.69 -40.62 69.32 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.484 0.659 . . . . 25.0 109.975 173.293 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -74.64 -23.79 58.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.11 -0.369 . . . . 25.0 111.814 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.72 -31.17 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 173.547 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.14 -22.72 52.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.635 -0.665 . . . . 25.0 111.062 175.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -68.24 -33.8 75.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 174.467 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.36 -45.34 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 172.493 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -61.28 -36.64 80.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.351 -172.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -53.44 10.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -73.09 -26.38 61.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.559 0.695 . . . . 25.0 111.762 -177.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 59' ' ' VAL . 67.4 m -128.38 74.93 79.63 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -178.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.79 -16.83 37.61 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.192 -0.738 . . . . 25.0 111.74 177.782 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -9.43 59.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 112.678 176.32 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -73.18 -53.27 4.94 Favored Pre-proline 0 CA--C 1.543 0.701 0 O-C-N 121.3 -0.875 . . . . 25.0 111.032 177.026 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -69.51 -15.76 38.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 113.872 -3.619 . . . . 25.0 113.284 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -64.75 -38.67 91.78 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.457 0.17 . . . . 25.0 110.801 175.394 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.3 -34.95 73.36 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.513 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.53 31.1 62.87 Favored Glycine 0 C--O 1.23 -0.144 0 CA-C-N 115.302 -0.863 . . . . 25.0 113.093 178.176 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.8 m -128.26 130.22 47.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 -177.331 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -105.72 107.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 123.134 1.445 . . . . 25.0 109.702 -176.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -145.82 159.37 43.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.524 -2.028 . . . . 25.0 105.524 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.95 -28.43 41.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -67.47 -37.14 82.46 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.284 178.547 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -72.84 -37.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 176.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -64.48 -27.59 69.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -55.23 -51.51 66.35 Favored 'General case' 0 CA--C 1.483 -1.627 0 CA-C-O 121.245 0.545 . . . . 25.0 110.088 175.692 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -52.72 -30.4 32.17 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.427 -1.715 . . . . 25.0 112.391 -175.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.411 ' HA ' ' SG ' ' A' ' 42' ' ' CYS . 44.8 t -71.71 -44.26 69.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.28 0.562 . . . . 25.0 111.772 178.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.38 56.11 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.05 -37.65 88.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 178.026 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.25 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 25.0 111.336 176.155 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -64.16 -37.34 87.13 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -63.65 -46.52 85.23 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.071 0.232 . . . . 25.0 110.411 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.1 -35.36 71.79 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.1 -176.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.98 -37.9 85.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 176.616 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -65.42 -42.45 92.47 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.088 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -63.11 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.37 0.668 . . . . 25.0 111.54 -178.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 m -68.21 -40.81 82.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 25.0 112.003 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -126.98 -47.94 1.49 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 117.968 2.581 . . . . 25.0 117.968 -176.584 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.22 -174.16 22.63 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 121.37 -0.443 . . . . 25.0 113.738 -175.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.03 -12.24 30.2 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.312 2.674 . . . . 25.0 115.118 -177.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -81.75 -10.97 59.21 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.124 -0.36 . . . . 25.0 110.625 177.443 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -99.52 -43.68 6.43 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.397 -0.365 . . . . 25.0 111.649 175.676 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.45 131.03 24.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 173.344 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.533 ' HB2' HG22 ' A' ' 78' ' ' THR . 88.9 Cg_endo -81.24 152.6 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 115.375 -2.616 . . . . 25.0 113.089 -179.42 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -22.38 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 122.001 -0.437 . . . . 25.0 111.418 177.206 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 76' ' ' PRO . 8.6 t -69.88 -24.17 63.36 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.575 -0.703 . . . . 25.0 111.293 177.496 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.38 85.73 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.948 -0.701 . . . . 25.0 110.296 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -72.36 -33.38 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 25.0 110.025 177.605 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.1 t -66.92 -45.09 78.98 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.8 -40.7 92.15 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.26 -38.33 71.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -67.16 -35.21 79.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 25.0 112.086 -178.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.49 -43.62 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.929 0.395 . . . . 25.0 110.045 179.41 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.99 -30.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.88 -51.13 70.29 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.1 -29.71 69.54 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.408 -0.517 . . . . 25.0 111.003 -179.198 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.572 HD22 HG11 ' A' ' 99' ' ' VAL . 28.2 mt -66.5 -39.26 88.6 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 178.443 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.66 -41.08 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.49 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.25 -38.81 77.63 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.281 0.562 . . . . 25.0 110.369 -177.427 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -115.14 35.14 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.254 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.17 -21.64 66.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.54 0.686 . . . . 25.0 109.663 176.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.45 -29.12 69.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.97 8.62 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 121.5 0.666 . . . . 25.0 110.076 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -123.21 77.87 52.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.1 -18.15 45.66 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 117.941 -0.906 . . . . 25.0 114.414 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -63.88 -50.81 67.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 177.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.572 HG11 HD22 ' A' ' 89' ' ' LEU . 3.1 m -77.49 -25.18 14.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.166 -176.449 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.21 -36.79 73.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.263 0.483 . . . . 25.0 110.299 176.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.497 ' HB3' HE22 ' A' ' 14' ' ' GLN . . . -66.51 -31.95 72.99 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.142 -0.974 . . . . 25.0 110.416 175.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.5 60.53 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.64 -48.2 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 174.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.62 82.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.447 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -65.7 -34.35 77.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.5 m -64.73 -40.54 95.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.25 -42.86 99.35 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.401 -0.519 . . . . 25.0 110.802 175.002 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -58.59 -45.92 88.05 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.008 -0.432 . . . . 25.0 110.899 178.064 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.25 -38.86 78.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.684 -175.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.69 -40.57 79.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.1 mmtp -71.89 -20.06 61.84 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 174.424 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.2 t -81.06 -12.39 59.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.311 0.577 . . . . 25.0 110.112 176.514 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.23 179.26 4.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.744 -1.116 . . . . 25.0 111.335 -176.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m 57.64 -157.97 0.28 Allowed 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 124.269 1.028 . . . . 25.0 110.971 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -78.56 -12.44 60.01 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.871 -1.059 . . . . 25.0 111.049 -178.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.661 HG22 ' H ' ' A' ' 117' ' ' ASP . 2.5 m 57.24 -162.16 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.399 0.68 . . . . 25.0 109.181 -177.277 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.661 ' H ' HG22 ' A' ' 116' ' ' THR . 57.7 t0 -153.85 -164.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 1 N-CA-C 99.453 -4.277 . . . . 25.0 99.453 179.344 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.1 135.62 16.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.369 1.08 . . . . 25.0 112.524 173.37 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -145.36 166.35 25.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.632 -178.545 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.8 90.51 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.173 0.511 . . . . 25.0 111.526 -174.228 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -86.68 107.13 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -178.438 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.59 -44.74 89.65 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.434 -0.791 . . . . 25.0 109.941 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.69 -162.88 0.13 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.469 0.708 . . . . 25.0 112.5 177.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -152.48 160.52 43.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 101.761 -3.422 . . . . 25.0 101.761 -179.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 173.894 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.321 0 N-CA-C 114.904 0.722 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -62.66 -37.16 85.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.539 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.83 -39.57 63.95 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.271 0.557 . . . . 25.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.64 -41.78 95.6 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.651 -0.656 . . . . 25.0 110.969 176.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -69.74 -11.36 60.8 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.324 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -94.9 -20.5 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.609 0.719 . . . . 25.0 109.53 178.558 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -80.86 84.21 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.06 -31.23 40.5 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -172.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.83 -36.33 83.19 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.447 -0.783 . . . . 25.0 111.535 177.426 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -75.17 -43.39 52.58 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.81 -40.59 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.955 176.126 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -46.12 80.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.653 0.381 . . . . 25.0 111.858 -179.641 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -37.97 70.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.73 -23.46 67.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -50.87 -35.62 33.66 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 174.652 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -82.19 -46.85 13.21 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 116.714 -0.221 . . . . 25.0 111.023 176.264 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.97 90.94 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.399 1.259 . . . . 25.0 114.399 -175.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -37.55 87.9 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.66 -39.98 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 p -68.15 -16.26 63.92 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -16.58 62.05 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.047 -0.408 . . . . 25.0 110.207 175.152 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.08 23.72 77.56 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.799 175.628 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -126.68 147.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 25.0 111.958 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.03 84.86 6.39 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.86 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.32 134.22 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 178.464 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -87.39 163.27 16.86 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.35 -42.72 87.54 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.997 -0.439 . . . . 25.0 110.953 174.538 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.93 84.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.2 0.524 . . . . 25.0 109.987 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.67 -46.54 63.03 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -175.386 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.6 tp -67.75 -54.03 22.52 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.391 0.615 . . . . 25.0 112.318 -175.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.69 -19.97 65.87 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -59.01 -41.6 88.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 119.639 -0.824 . . . . 25.0 108.968 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -74.71 -25.71 59.32 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 120.383 -0.527 . . . . 25.0 112.204 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.64 -38.27 90.44 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.43 -34.36 75.85 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.96 0.41 . . . . 25.0 111.216 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.28 -37.11 86.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 25.0 112.339 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -66.05 -28.53 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.922 -0.711 . . . . 25.0 111.2 -178.909 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -64.44 -41.41 96.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.814 -0.754 . . . . 25.0 109.387 -175.364 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.38 -43.86 89.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.013 -0.994 . . . . 25.0 110.538 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -29.74 50.15 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.074 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 87.4 m -128.0 77.43 76.59 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.363 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.31 -18.81 29.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 CA-C-O 121.45 0.521 . . . . 25.0 112.405 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.81 -17.13 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.352 177.043 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.8 -53.14 15.99 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.371 -0.831 . . . . 25.0 111.338 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.18 -19.42 29.6 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.894 -3.604 . . . . 25.0 113.83 176.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.27 -40.2 93.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 25.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.86 -28.0 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.427 0.632 . . . . 25.0 109.783 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.67 0.39 8.4 Favored Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.018 1.167 . . . . 25.0 116.018 176.114 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 m -102.69 134.23 46.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -175.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.36 84.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 123.74 1.733 . . . . 25.0 109.476 -174.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.12 153.82 19.25 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 175.23 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' HE ' ' A' ' 57' ' ' ARG . 10.4 tp -67.38 -28.14 41.21 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 171.029 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.99 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.218 0.533 . . . . 25.0 110.368 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -77.94 -34.89 50.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -62.23 -28.84 69.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.258 176.258 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HE ' HG13 ' A' ' 53' ' ' ILE . 18.8 mmt85 -56.12 -47.24 78.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 175.73 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -67.35 -21.43 65.63 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.02 -39.2 79.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 175.537 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.37 60.61 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.004 -0.838 . . . . 25.0 111.004 178.179 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.8 -36.79 82.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -43.74 90.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.448 . . . . 25.0 111.142 179.295 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.87 -37.85 89.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.239 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -63.08 -45.32 92.68 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -179.114 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -70.99 -39.06 72.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.394 0.616 . . . . 25.0 111.821 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.18 -37.19 86.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.36 -38.93 78.33 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 121.222 0.534 . . . . 25.0 110.436 175.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.09 -35.7 80.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.212 0.53 . . . . 25.0 111.066 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -79.73 -41.28 27.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -177.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.49 2.52 10.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 -173.173 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 -174.57 54.95 Favored Glycine 0 C--O 1.242 0.645 0 N-CA-C 115.344 0.898 . . . . 25.0 115.344 178.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.64 -5.4 17.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.25 1.966 . . . . 25.0 115.114 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.73 -8.74 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.264 0.554 . . . . 25.0 111.889 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -115.78 -34.6 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.553 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.39 131.01 24.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 173.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' THR . 79.0 Cg_endo -84.75 157.51 11.98 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 117.198 -1.401 . . . . 25.0 112.592 175.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.33 -23.04 32.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 121.684 -0.635 . . . . 25.0 111.468 176.202 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 76' ' ' PRO . 9.7 t -71.38 -20.84 62.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.456 -0.777 . . . . 25.0 111.736 177.512 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -37.72 84.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.745 -0.782 . . . . 25.0 109.892 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.79 -32.24 69.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.527 0.679 . . . . 25.0 110.112 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.8 t -69.77 -43.87 71.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.861 -0.608 . . . . 25.0 109.537 -178.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.76 -38.44 83.45 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.089 176.49 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -59.21 -36.43 75.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.028 0.442 . . . . 25.0 110.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -35.31 80.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.871 -0.604 . . . . 25.0 110.866 179.472 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.91 -40.52 95.21 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.343 -0.389 . . . . 25.0 111.155 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.24 -30.35 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 121.283 -0.886 . . . . 25.0 109.019 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.29 -49.5 76.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.909 -0.494 . . . . 25.0 110.416 178.751 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.6 -31.59 72.71 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.87 -0.732 . . . . 25.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.63 -42.54 77.89 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.25 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.79 -40.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.754 -0.778 . . . . 25.0 109.392 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.39 -34.44 76.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.835 0.35 . . . . 25.0 110.546 -175.716 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -112.64 32.83 5.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.912 0.387 . . . . 25.0 111.561 178.245 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.8 -18.14 65.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.513 0.673 . . . . 25.0 109.499 176.13 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.37 -26.54 68.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.149 -0.932 . . . . 25.0 113.48 178.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.15 8.61 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.476 0.655 . . . . 25.0 110.059 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -126.12 83.76 62.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.336 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.26 -19.28 38.73 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 117.808 -0.995 . . . . 25.0 114.161 -175.097 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -64.86 -54.35 32.33 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 177.445 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -72.83 -28.07 26.37 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.881 -1.127 . . . . 25.0 110.697 -176.372 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -40.53 92.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.275 -0.89 . . . . 25.0 110.743 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.06 68.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.939 0.4 . . . . 25.0 110.517 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.98 49.38 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 99' ' ' VAL . 75.4 t -63.32 -48.64 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 178.726 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.67 96.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.245 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -63.36 -37.4 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -68.01 -37.69 81.74 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 -178.325 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.03 -45.3 91.06 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.568 0.622 . . . . 25.0 111.265 176.399 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.15 -40.3 95.5 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.558 0.694 . . . . 25.0 110.476 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.15 -41.5 87.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.04 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.73 -38.08 79.92 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.926 -0.484 . . . . 25.0 111.987 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -68.76 -28.37 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.793 0.33 . . . . 25.0 111.292 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.6 t -83.27 -40.62 19.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.357 0.598 . . . . 25.0 112.205 178.311 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.29 129.01 38.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 25.0 112.325 -175.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.2 m -82.34 159.44 23.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 122.081 0.943 . . . . 25.0 109.137 174.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -83.88 89.52 7.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 109.144 175.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.2 p -73.73 152.28 40.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.509 -1.223 . . . . 25.0 110.34 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -95.31 172.89 7.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.23 -0.896 . . . . 25.0 112.391 -174.564 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 33.5 mt 59.35 -161.19 0.27 Allowed 'General case' 0 C--O 1.24 0.594 0 N-CA-C 116.12 1.896 . . . . 25.0 116.12 173.33 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -72.59 75.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -171.635 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -70.5 -16.02 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.749 174.114 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -84.5 120.49 26.39 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 176.021 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 166.17 25.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -176.722 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.74 132.13 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 173.206 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -102.79 -9.46 19.95 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 174.079 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.512 -0.518 0 N-CA-C 100.268 -3.975 . . . . 25.0 100.268 172.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.337 0 N-CA-C 113.056 -0.018 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -64.64 -44.5 90.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.15 -36.21 79.29 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 120.841 0.353 . . . . 25.0 110.193 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.66 -36.07 75.7 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.775 -0.578 . . . . 25.0 110.688 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -66.57 -26.57 67.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.117 1.525 . . . . 25.0 115.117 170.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -85.69 -23.76 27.28 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.437 0.637 . . . . 25.0 110.551 179.585 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -80.87 82.01 6.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -174.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.08 -33.99 20.29 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 115.503 1.668 . . . . 25.0 115.503 -171.278 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.38 67.19 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.17 -0.956 . . . . 25.0 112.025 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -83.02 -37.43 23.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.31 -38.9 57.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 173.752 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -62.36 -39.35 92.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.936 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -64.53 -40.25 95.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 173.855 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 39.2 mt -70.1 -23.49 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.24 0.829 . . . . 25.0 113.24 178.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -80.14 -47.27 15.01 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.674 175.221 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.35 -43.8 98.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -174.572 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.45 -39.95 95.85 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 178.621 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -67.88 -40.49 83.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.66 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.484 HG21 HE21 ' A' ' 98' ' ' GLN . 20.3 p -69.81 -25.84 63.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -175.15 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -14.14 59.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 119.623 -0.831 . . . . 25.0 109.968 175.232 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 16.99 77.14 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 121.393 -0.432 . . . . 25.0 113.422 176.256 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.62 123.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.124 0.964 . . . . 25.0 109.63 -176.199 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -83.0 84.49 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.648 -0.705 . . . . 25.0 112.01 -176.578 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.6 m -122.11 156.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.27 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -79.07 147.51 32.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -47.84 79.94 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 122.411 -0.181 . . . . 25.0 111.424 177.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.03 74.03 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.397 -0.365 . . . . 25.0 110.778 179.433 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -71.39 -32.81 68.87 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.969 -0.382 . . . . 25.0 109.969 -178.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -54.03 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.061 -0.655 . . . . 25.0 110.874 178.838 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.17 -20.33 62.6 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 178.202 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -54.09 -38.56 65.49 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.999 -0.438 . . . . 25.0 110.079 171.772 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -79.59 -23.87 42.42 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.088 -0.382 . . . . 25.0 111.862 -179.554 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.1 -26.95 63.26 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 173.063 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.6 -31.22 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.592 0.71 . . . . 25.0 109.608 176.871 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.23 -28.15 66.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.522 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -64.79 -33.19 61.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 C-N-CA 119.4 -0.92 . . . . 25.0 108.835 176.539 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -67.78 -36.45 80.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.866 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.26 -32.55 72.36 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.638 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 m -97.23 -33.89 11.3 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.405 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -124.44 82.48 58.42 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -173.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.46 -12.78 29.88 Favored 'Trans proline' 0 C--N 1.344 0.31 0 CA-C-O 121.541 0.559 . . . . 25.0 111.609 177.089 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -9.85 53.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.725 177.793 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.39 -49.73 82.44 Favored Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 121.427 -0.795 . . . . 25.0 111.523 176.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -69.12 -19.73 38.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 114.076 -3.483 . . . . 25.0 114.309 176.338 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.85 -35.3 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.709 0.231 . . . . 25.0 110.934 178.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.53 -31.39 70.59 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.165 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.76 33.56 Favored Glycine 0 C--O 1.229 -0.188 0 N-CA-C 115.442 0.937 . . . . 25.0 115.442 174.642 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.8 m -127.63 127.39 43.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.49 98.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 123.145 1.45 . . . . 25.0 108.882 -174.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -138.95 164.44 29.7 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.987 -2.227 . . . . 25.0 104.987 179.375 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.09 -28.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 111.388 0.144 . . . . 25.0 111.388 -179.044 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -66.42 -35.61 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.699 -0.625 . . . . 25.0 110.33 177.119 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -78.27 -40.46 36.97 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 177.067 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -64.28 -31.87 73.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.692 0.282 . . . . 25.0 111.189 -179.645 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -61.2 -43.56 98.69 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 119.311 -0.376 . . . . 25.0 110.967 175.266 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -57.41 -33.36 67.79 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 111.664 0.246 . . . . 25.0 111.664 177.196 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.26 -41.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 25.0 110.263 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -36.8 61.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.568 -0.825 . . . . 25.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.74 -40.95 98.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -44.87 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.428 -0.805 . . . . 25.0 111.744 177.559 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -61.0 -34.01 74.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.689 -0.405 . . . . 25.0 110.386 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.51 -43.44 97.17 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.408 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.29 -36.13 66.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.607 0.718 . . . . 25.0 111.264 179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -35.95 78.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.874 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.02 -40.13 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.544 177.174 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.6 -39.36 93.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.08 -0.387 . . . . 25.0 111.713 -178.259 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 70' ' ' PHE . 2.1 t -85.88 -20.09 29.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -172.879 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.445 ' CD2' HG23 ' A' ' 69' ' ' THR . 53.8 m-85 -119.16 -11.55 9.59 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 -179.522 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.92 178.85 52.69 Favored Glycine 0 C--O 1.244 0.734 0 C-N-CA 120.884 -0.674 . . . . 25.0 114.014 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.5 -12.28 29.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.255 1.97 . . . . 25.0 115.407 -176.387 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -74.53 -30.51 61.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.221 0.534 . . . . 25.0 110.968 -178.68 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.04 -40.08 10.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.602 -178.873 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.09 130.8 24.5 Favored Pre-proline 0 C--O 1.22 -0.489 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 175.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.12 154.5 11.07 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 115.508 -2.528 . . . . 25.0 112.43 178.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.27 -20.49 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.688 -0.632 . . . . 25.0 110.519 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -73.6 -17.2 61.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.673 -0.642 . . . . 25.0 111.1 177.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.23 82.62 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.238 -0.585 . . . . 25.0 109.444 178.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.3 -31.2 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.207 0.527 . . . . 25.0 111.185 178.486 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -71.75 -43.82 65.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 178.422 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.23 -41.74 96.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.607 . . . . 25.0 110.039 176.727 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.03 -39.52 82.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.779 0.323 . . . . 25.0 110.503 178.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.51 -28.29 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.986 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.7 -40.8 84.3 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-O 120.976 0.417 . . . . 25.0 110.023 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.18 -31.03 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.181 -0.949 . . . . 25.0 109.402 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -56.09 -48.68 75.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.352 -0.385 . . . . 25.0 110.774 179.278 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.25 -30.86 70.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.776 -0.37 . . . . 25.0 110.423 -179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 99' ' ' VAL . 71.4 mt -70.58 -36.01 73.35 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.62 -42.93 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.34 -33.27 69.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.11 0.481 . . . . 25.0 110.998 -177.039 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 35.99 4.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.887 178.298 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -64.78 -20.12 66.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.413 0.625 . . . . 25.0 110.811 178.83 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.19 -30.28 69.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 25.0 113.304 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.4 10.33 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.561 0.696 . . . . 25.0 110.275 -179.275 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.36 78.09 61.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 178.608 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.62 -23.93 36.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 N-CA-C 115.527 1.318 . . . . 25.0 115.527 -173.582 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.484 HE21 HG21 ' A' ' 21' ' ' THR . 1.9 pm0 -67.22 -35.78 80.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.231 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 89' ' ' LEU . 1.8 m -84.91 -29.81 6.72 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 C-N-CA 120.118 -0.633 . . . . 25.0 110.943 177.168 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -61.21 -41.52 96.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.618 0.644 . . . . 25.0 110.179 -179.458 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.072 0.463 . . . . 25.0 110.434 176.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 -31.01 42.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.53 -49.64 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.561 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.9 96.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.42 -37.84 87.38 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.114 178.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m -67.57 -38.54 84.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.378 -0.827 . . . . 25.0 108.813 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -61.02 -39.63 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.043 -0.411 . . . . 25.0 110.574 176.294 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.91 -46.1 79.52 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.213 0.53 . . . . 25.0 111.617 177.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -34.79 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 -177.452 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.43 -37.54 87.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 177.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -71.75 -25.72 62.16 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.21 0.459 . . . . 25.0 111.23 178.472 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.4 t -83.43 -13.37 54.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.719 -178.019 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -93.65 146.92 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 -175.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -91.15 124.41 35.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.91 177.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.46 13.4 0.46 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.2 p -74.31 -17.24 60.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.368 0.877 . . . . 25.0 113.368 -176.095 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.2 t0 43.29 32.28 0.47 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.55 1.685 . . . . 25.0 115.55 175.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.97 141.18 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.117 0.96 . . . . 25.0 112.437 -173.749 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -91.53 148.27 22.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.209 -0.905 . . . . 25.0 110.297 178.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -117.66 0.5 12.06 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.759 0.79 . . . . 25.0 109.684 176.204 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -156.59 145.33 20.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 100.78 -3.785 . . . . 25.0 100.78 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.03 117.3 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -176.438 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -107.24 -42.6 4.8 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 176.223 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.58 -161.92 0.14 Allowed 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.006 0.816 . . . . 25.0 109.936 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.7 m80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 116.435 -1.745 . . . . 25.0 107.714 -175.223 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.471 ' H52' HD11 ' A' ' 110' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 CA-C-O 120.198 -0.223 . . . . 25.0 113.414 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.494 0.647 . . . . 25.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.07 -31.37 62.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.21 0.529 . . . . 25.0 110.135 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.44 -36.69 83.19 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.73 -0.606 . . . . 25.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -26.43 66.29 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.489 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -78.23 -27.06 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.972 0.891 . . . . 25.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.15 75.48 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.841 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.13 -32.33 15.7 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -175.474 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -64.15 -30.45 71.51 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.419 -0.801 . . . . 25.0 112.07 178.404 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -86.05 -37.84 18.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.86 -33.22 34.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.905 175.253 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 4.3 tm-20 -50.8 -52.0 45.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 178.082 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.46 -28.76 67.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.764 -0.585 . . . . 25.0 111.147 178.84 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 35.1 mt -71.75 -23.59 61.63 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.698 -0.626 . . . . 25.0 111.966 175.737 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 52.8 mttm -60.92 -41.42 96.16 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 177.53 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.2 -46.65 40.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.388 -0.824 . . . . 25.0 111.123 176.085 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.69 -45.0 95.86 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -174.278 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.77 -40.84 97.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 178.742 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -66.76 -43.54 83.81 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 -178.632 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -69.36 -20.92 63.84 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.7 0.259 . . . . 25.0 111.7 -176.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.87 -20.23 62.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.789 0.328 . . . . 25.0 111.248 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.55 11.69 83.8 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 114.539 0.576 . . . . 25.0 114.539 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.97 131.49 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.627 0.727 . . . . 25.0 109.096 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.0 84.28 7.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.591 -175.822 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -101.01 135.2 38.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -65.74 135.78 55.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.06 65.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -176.044 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.36 86.72 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 120.798 0.332 . . . . 25.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -74.16 -26.17 60.15 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.383 -0.198 . . . . 25.0 111.183 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.66 -52.86 18.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 176.03 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.28 -41.94 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.334 0.588 . . . . 25.0 110.247 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -77.29 -23.7 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.883 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.98 -19.31 64.14 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -31.08 23.77 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.551 -0.718 . . . . 25.0 110.167 173.596 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.02 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -39.43 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.537 -0.727 . . . . 25.0 109.278 176.685 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -64.81 -38.01 89.53 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.06 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.28 -50.79 71.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.153 0.501 . . . . 25.0 111.922 -177.498 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 m -76.75 -24.89 52.97 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.435 0.636 . . . . 25.0 111.659 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -126.59 80.14 70.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.791 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.51 -9.14 24.64 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-O 122.0 0.75 . . . . 25.0 112.212 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.33 -9.97 48.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.69 175.162 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.04 -48.54 27.59 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.763 -0.586 . . . . 25.0 111.492 177.763 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -69.41 -20.93 35.83 Favored 'Trans proline' 0 C--N 1.358 1.027 1 C-N-CA 112.529 -4.514 . . . . 25.0 112.863 174.355 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.39 -37.21 74.48 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -78.17 -18.94 54.9 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.837 -0.539 . . . . 25.0 110.013 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.91 19.75 30.93 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 116.846 1.498 . . . . 25.0 116.846 170.591 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 m -130.86 134.07 46.47 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 -174.818 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.4 mt -124.48 103.11 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 122.522 1.153 . . . . 25.0 110.503 -171.497 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -144.3 163.49 33.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.433 -2.062 . . . . 25.0 105.433 174.632 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.07 -28.81 45.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.435 0.16 . . . . 25.0 111.241 -176.617 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.95 -38.43 85.83 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.976 -0.452 . . . . 25.0 110.807 177.045 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -85.56 -36.02 20.71 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 120.689 0.28 . . . . 25.0 110.79 179.167 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -62.71 -30.23 71.26 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 179.462 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -61.4 -40.67 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.055 -0.403 . . . . 25.0 110.835 176.908 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.52 -31.4 66.01 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 176.338 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.36 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.32 73.49 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 178.527 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 177.459 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -42.78 95.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.064 177.473 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.55 -37.46 86.23 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.72 -39.78 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.301 -0.159 . . . . 25.0 111.128 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.16 -44.58 83.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.951 0.881 . . . . 25.0 109.176 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.2 -39.24 94.06 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.209 178.177 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.53 -44.08 75.35 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 113.134 0.791 . . . . 25.0 113.134 178.59 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -30.7 70.08 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.922 0.783 . . . . 25.0 112.373 -171.461 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -61.54 -40.84 96.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 178.8 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -127.35 -1.85 6.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.825 2.158 . . . . 25.0 116.825 -174.139 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.82 -153.18 45.24 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 -174.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.75 -5.62 17.25 Favored 'Trans proline' 0 C--N 1.346 0.424 0 CA-C-N 118.499 1.15 . . . . 25.0 114.311 -178.227 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.28 -17.87 64.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.21 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -39.6 3.45 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.44 130.84 24.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 174.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.05 151.54 39.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 114.674 -3.084 . . . . 25.0 111.151 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.14 -20.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 121.774 -0.579 . . . . 25.0 110.938 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -72.58 -21.15 61.19 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.721 -0.612 . . . . 25.0 111.216 176.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.45 83.5 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 119.911 -0.716 . . . . 25.0 109.278 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -71.59 -30.22 65.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.108 0.48 . . . . 25.0 110.788 177.8 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -72.18 -45.34 60.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.05 -44.66 94.52 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.185 175.236 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -60.48 -41.22 93.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.1 -30.88 71.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.117 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 25.0 109.928 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.83 -30.44 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -57.92 -45.2 86.89 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.977 -0.452 . . . . 25.0 111.43 -178.768 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.4 -28.41 62.97 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.673 -179.521 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.6 -39.55 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.34 -0.225 . . . . 25.0 111.462 179.443 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.1 mt -73.52 -40.47 55.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.263 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.41 -32.13 72.92 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.801 0.334 . . . . 25.0 110.765 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -115.68 36.26 4.07 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.781 178.562 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -61.31 -22.44 64.88 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.169 0.509 . . . . 25.0 110.869 178.276 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.49 -27.92 69.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.934 1.087 . . . . 25.0 113.934 -179.355 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.55 8.95 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.564 0.697 . . . . 25.0 110.055 179.537 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -125.75 77.96 69.54 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.71 -22.94 27.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 117.358 -1.295 . . . . 25.0 115.182 -174.051 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -39.19 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 179.58 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -81.87 -31.22 10.58 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.425 0 C-N-CA 119.605 -0.838 . . . . 25.0 109.434 178.437 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -40.71 94.53 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.868 0.758 . . . . 25.0 111.039 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.28 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.92 0.39 . . . . 25.0 110.391 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -33.64 63.29 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.369 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.51 -47.08 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.36 -46.91 84.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.05 -35.68 79.33 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 179.233 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -67.15 -40.07 86.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -61.88 -40.17 94.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.726 -0.609 . . . . 25.0 111.2 175.366 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -61.62 -45.14 95.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.938 0.399 . . . . 25.0 110.475 179.773 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -67.47 -41.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.038 -178.757 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD11 ' H52' ' A' ' 1' ' ' MYR . 4.0 mp -62.28 -37.6 86.15 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.981 -0.449 . . . . 25.0 110.888 -179.703 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -78.21 -21.51 49.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 179.221 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -83.52 -33.78 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.035 0.445 . . . . 25.0 110.256 178.788 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.57 147.35 52.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.37 0.605 . . . . 25.0 109.983 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.7 m -136.26 156.29 48.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 54.25 39.61 30.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 122.241 1.019 . . . . 25.0 109.684 -176.294 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -71.97 128.26 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.896 -1.047 . . . . 25.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t0 65.75 173.24 0.23 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.282 1.216 . . . . 25.0 114.282 177.851 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -116.47 151.48 35.99 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -173.359 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 49.71 34.4 7.35 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 174.49 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.54 64.77 2.93 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 171.757 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.91 79.88 2.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.754 0.788 . . . . 25.0 110.892 -175.399 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -70.07 52.97 0.13 Allowed 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -176.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -104.51 117.1 33.32 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.305 0.642 . . . . 25.0 110.883 -177.647 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -151.52 -177.02 5.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 179.06 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 102.979 -2.971 . . . . 25.0 102.979 174.542 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.477 0 N-CA-C 112.958 -0.057 . . . . 25.0 112.958 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -70.87 -28.04 64.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.968 -0.725 . . . . 25.0 109.988 -178.839 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.43 -43.77 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.673 0.749 . . . . 25.0 109.679 176.489 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.14 -36.37 77.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.66 -0.7 . . . . 25.0 111.29 176.618 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -62.05 -10.86 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 175.633 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.1 -20.26 18.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.24 0.473 . . . . 25.0 111.094 178.867 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -80.75 92.18 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.9 -36.19 47.96 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.702 1.371 . . . . 25.0 114.702 -173.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.59 -34.43 75.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.335 0.588 . . . . 25.0 112.381 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -83.21 -39.79 20.49 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 178.519 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.51 -38.86 51.04 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.535 174.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -61.2 -38.26 85.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.356 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -67.1 -38.27 85.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.828 -0.749 . . . . 25.0 109.116 175.313 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 42.8 mt -69.75 -23.69 63.42 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 176.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.22 -35.03 76.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 177.247 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -83.9 -46.51 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.405 -0.361 . . . . 25.0 111.484 175.514 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -59.91 -40.99 90.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -173.641 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.1 -37.25 86.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -70.49 -43.85 68.86 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 179.452 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.9 p -68.96 -12.4 61.61 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -175.839 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -24.15 63.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 174.203 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.2 76.92 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 121.123 -0.561 . . . . 25.0 113.53 178.185 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.34 151.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -178.539 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -80.91 84.91 6.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.416 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.24 152.97 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.346 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -104.78 145.0 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -178.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -50.99 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.09 77.9 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.247 -177.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -73.9 -36.4 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 -178.088 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.79 -53.29 56.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.45 -21.49 66.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 178.598 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -65.09 -30.9 71.88 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.093 -1.004 . . . . 25.0 110.349 176.122 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -79.77 -23.82 41.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.123 -0.361 . . . . 25.0 111.12 176.266 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -73.08 -30.67 63.86 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 175.498 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.02 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 25.0 110.358 177.778 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.2 -25.34 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.209 178.257 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -47.42 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 174.495 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -67.05 -43.56 82.42 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.963 -169.161 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.92 -21.64 60.86 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -175.878 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -95.41 -32.97 12.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 25.0 111.317 176.791 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 77.66 73.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 123.469 0.708 . . . . 25.0 109.886 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.63 -19.94 36.08 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 117.846 -0.969 . . . . 25.0 112.136 -178.13 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.37 -16.42 60.38 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.274 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.92 -51.08 20.09 Favored Pre-proline 0 N--CA 1.467 0.406 0 O-C-N 121.42 -0.8 . . . . 25.0 113.037 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.52 -20.67 47.34 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 113.184 -4.077 . . . . 25.0 113.474 177.796 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.07 -15.74 63.04 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.924 0.342 . . . . 25.0 111.924 178.859 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.6 -20.59 56.6 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.951 -0.468 . . . . 25.0 110.427 176.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.08 16.37 40.49 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 114.671 0.628 . . . . 25.0 114.671 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.9 m -139.29 134.14 32.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -174.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.09 100.8 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.81 1.291 . . . . 25.0 109.531 -176.146 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 158.09 44.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 176.846 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.43 -29.66 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -173.153 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -72.52 -32.22 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -78.13 -36.19 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -62.98 -26.91 69.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.327 177.818 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -54.43 -45.58 73.06 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.011 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -53.06 -34.01 54.58 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -177.718 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.29 -40.52 82.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.604 . . . . 25.0 110.178 -177.155 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.65 -33.69 41.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.019 -179.32 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -39.72 94.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.17 -45.26 92.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.656 178.001 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.43 -40.24 90.35 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.028 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.36 -43.41 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.307 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.0 -46.16 90.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.48 . . . . 25.0 109.745 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.302 0.572 . . . . 25.0 110.219 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.82 -39.08 93.0 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.86 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -34.94 70.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.756 -0.59 . . . . 25.0 109.611 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.5 m -65.7 -46.21 79.86 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 179.218 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 2.41 6.39 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 119.052 2.982 . . . . 25.0 119.052 -173.134 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.97 179.42 48.83 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 116.871 1.509 . . . . 25.0 116.871 175.495 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.19 -9.64 26.41 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.397 2.731 . . . . 25.0 115.307 -176.252 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.5 -20.04 60.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.033 0.444 . . . . 25.0 111.239 177.506 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -108.59 -36.99 6.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.345 -171.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.64 131.09 24.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 168.877 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.9 Cg_endo -82.48 152.06 15.43 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 115.62 -2.454 . . . . 25.0 113.14 -179.278 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.85 -22.93 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.857 -0.527 . . . . 25.0 111.734 177.783 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 76' ' ' PRO . 1.6 t -70.15 -24.91 63.24 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.584 -0.698 . . . . 25.0 111.157 178.29 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.95 79.67 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 120.203 -0.599 . . . . 25.0 110.69 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -70.4 -33.84 71.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.563 0.697 . . . . 25.0 110.685 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.25 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.417 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.8 m-85 -67.63 -39.28 84.66 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.228 176.221 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -59.15 -39.82 83.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.067 0.46 . . . . 25.0 110.71 178.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -66.58 -28.56 68.61 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tt -64.74 -47.4 78.37 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 82' ' ' TYR . 2.6 mp -71.78 -32.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 -179.204 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.82 -47.37 80.45 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.28 -24.76 54.46 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.871 -1.132 . . . . 25.0 110.918 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.84 -43.6 95.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.181 -0.324 . . . . 25.0 111.712 174.159 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.49 -42.84 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.79 -31.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.442 0.639 . . . . 25.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -110.98 23.55 14.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.772 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -59.38 -28.16 66.63 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -175.317 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -74.01 -16.7 61.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -171.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -113.43 8.35 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.51 0.671 . . . . 25.0 109.684 175.324 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -129.91 78.04 75.68 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.347 178.716 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.14 -23.39 45.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 N-CA-C 115.81 1.427 . . . . 25.0 115.81 -173.6 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -67.39 -35.12 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.654 -0.654 . . . . 25.0 109.583 178.379 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 120.421 -0.511 . . . . 25.0 110.46 177.801 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.51 -39.05 92.29 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.854 -0.529 . . . . 25.0 111.505 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.78 68.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 177.372 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.26 -34.89 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.118 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.62 -52.7 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.021 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.09 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.192 -178.6 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.78 -37.99 89.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.202 -0.599 . . . . 25.0 111.633 178.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -68.47 -39.72 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.777 -0.769 . . . . 25.0 108.943 -178.743 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.64 -41.34 90.27 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.28 -0.168 . . . . 25.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.88 -37.81 70.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.06 -35.55 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 178.13 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.39 -22.8 67.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.32 -22.43 62.82 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.085 0.402 . . . . 25.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -83.48 -12.55 56.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.246 0.546 . . . . 25.0 111.327 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.13 168.86 10.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.491 -0.777 . . . . 25.0 112.69 -173.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -141.01 -167.89 2.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 -178.606 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.64 -35.92 75.35 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 174.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 m 47.94 45.03 18.97 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 123.127 1.442 . . . . 25.0 113.251 174.743 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -84.81 135.29 34.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.882 -1.508 . . . . 25.0 107.349 176.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -158.49 -179.42 8.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 -174.617 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -67.61 68.05 0.1 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.52 1.304 . . . . 25.0 114.52 179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 111.47 1.29 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 174.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.95 -5.14 8.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.431 1.641 . . . . 25.0 115.431 -171.34 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t60 48.67 35.05 5.66 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.466 2.025 . . . . 25.0 116.466 164.812 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.4 3.92 1.55 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 117.851 2.537 . . . . 25.0 117.851 -172.007 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 47.93 -104.57 0.12 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 118.244 -0.884 . . . . 25.0 110.356 -170.398 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 . . . . . 0 C--O 1.253 1.243 0 CA-C-O 115.078 -2.392 . . . . 25.0 107.097 -174.366 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.179 0 N-CA-C 111.177 -0.769 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.96 -39.18 79.65 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.521 -0.399 . . . . 25.0 109.998 177.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -33.6 75.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 25.0 109.987 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.7 -40.84 61.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.211 -0.306 . . . . 25.0 110.762 178.559 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -59.98 -29.19 68.28 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.662 0.616 . . . . 25.0 112.662 172.515 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -84.35 -19.09 34.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.127 -0.358 . . . . 25.0 111.876 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -83.2 90.89 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.893 -0.504 . . . . 25.0 110.962 -178.207 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -40.63 29.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.971 1.471 . . . . 25.0 114.971 -175.337 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -62.36 -36.99 83.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -78.88 -37.94 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.43 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.03 -37.91 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.532 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -59.74 -44.17 93.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 122.059 -0.401 . . . . 25.0 111.46 178.395 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.51 76.53 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.71 -23.47 66.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -179.041 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.19 -23.3 66.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 176.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -83.74 -54.3 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 173.108 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.19 87.53 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.968 1.469 . . . . 25.0 114.968 -174.123 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -37.41 83.03 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 178.722 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.43 -36.15 58.13 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -67.3 -25.51 66.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.553 0.615 . . . . 25.0 112.135 -176.856 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.33 59.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.453 -0.499 . . . . 25.0 109.696 175.001 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.07 14.83 82.21 Favored Glycine 0 C--O 1.231 -0.08 0 N-CA-C 111.294 -0.722 . . . . 25.0 111.294 -178.274 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -85.07 121.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.027 0.918 . . . . 25.0 109.122 -177.803 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -86.2 84.74 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.51 -177.891 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.28 159.11 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.8 161.25 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.95 -38.12 81.54 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.902 -0.499 . . . . 25.0 110.142 174.371 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.58 78.3 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.046 0.45 . . . . 25.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -72.66 -38.0 67.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.339 -175.378 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -54.18 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -175.473 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.93 -21.56 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -53.69 -38.08 63.86 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.232 0.539 . . . . 25.0 110.501 173.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.44 -23.9 39.95 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.654 0.612 . . . . 25.0 112.654 -178.862 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.9 -34.47 77.85 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 173.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -37.17 82.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.312 -179.374 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.19 -38.68 92.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.889 -0.596 . . . . 25.0 112.557 -179.027 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -26.52 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.802 -0.562 . . . . 25.0 111.295 -178.725 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -62.76 -36.08 81.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 -176.139 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.85 -52.82 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.765 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -26.77 65.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.707 0.765 . . . . 25.0 112.883 -176.462 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.5 m -129.35 78.0 76.55 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.894 178.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.36 -18.62 29.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-O 121.581 0.575 . . . . 25.0 112.777 -178.336 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -19.33 59.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.704 176.514 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.54 -53.58 28.7 Favored Pre-proline 0 CA--C 1.544 0.73 0 O-C-N 121.676 -0.64 . . . . 25.0 111.522 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.42 -24.28 22.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.941 -3.572 . . . . 25.0 113.693 175.326 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.24 -43.39 95.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 25.0 111.432 -178.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -80.89 -19.56 44.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 25.0 110.089 178.795 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.79 31.92 73.05 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 121.394 -0.431 . . . . 25.0 113.807 174.811 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m -125.84 128.92 48.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.546 0.673 . . . . 25.0 109.563 -175.648 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -122.75 104.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.563 1.173 . . . . 25.0 110.519 -173.285 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -146.59 161.4 40.59 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 176.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -60.35 -39.09 79.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 119.294 -0.384 . . . . 25.0 111.515 -175.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -60.69 -29.07 69.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.543 0.61 . . . . 25.0 112.098 -179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -83.03 -36.96 24.55 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 122.409 -0.182 . . . . 25.0 110.593 175.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -64.67 -29.03 70.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -59.73 -47.21 86.55 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.767 0.794 . . . . 25.0 109.28 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.84 -31.0 64.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 113.842 -1.526 . . . . 25.0 113.313 177.815 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.71 -37.24 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -37.17 61.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.539 178.338 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -64.41 -34.8 79.01 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 175.864 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -45.27 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.647 0.261 . . . . 25.0 110.831 177.025 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.38 -36.71 84.79 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.746 177.774 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -66.32 -41.29 89.88 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.006 -177.576 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -72.51 -37.22 68.42 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.553 0.692 . . . . 25.0 110.82 -179.222 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.03 -38.17 90.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 175.834 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.0 -36.12 77.46 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.812 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.39 -35.4 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.716 -0.615 . . . . 25.0 109.675 178.546 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 m -76.63 -42.87 40.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.854 0.686 . . . . 25.0 112.854 -176.687 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -123.42 1.78 9.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -172.591 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.07 -171.56 52.35 Favored Glycine 0 C--O 1.245 0.823 0 N-CA-C 115.318 0.887 . . . . 25.0 115.318 177.289 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.26 -8.07 22.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.655 1.57 . . . . 25.0 113.059 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -69.19 -17.47 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.997 179.358 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -116.36 -43.75 2.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -178.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.51 131.01 22.52 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.106 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.9 151.67 21.59 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 115.184 -2.744 . . . . 25.0 111.509 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.55 -20.63 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 O-C-N 121.781 -0.574 . . . . 25.0 110.918 177.599 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -74.01 -18.86 60.8 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.592 -0.692 . . . . 25.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.66 84.41 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 119.914 -0.715 . . . . 25.0 109.168 178.586 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.09 -31.35 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 25.0 110.856 178.078 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -70.99 -45.39 64.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.912 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -59.42 -37.5 78.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.478 -0.328 . . . . 25.0 111.572 179.522 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -64.16 -32.18 73.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.43 -38.81 91.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.102 0.477 . . . . 25.0 111.213 178.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.46 -32.08 21.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 177.6 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -59.21 -46.4 88.54 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.775 -0.578 . . . . 25.0 109.946 179.251 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -70.41 -29.53 66.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.296 0.498 . . . . 25.0 110.639 -179.243 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -54.78 42.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 25.0 110.21 175.193 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.08 -36.5 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.367 -175.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.52 -33.22 67.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 25.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -118.77 31.42 6.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 179.156 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -66.52 -23.19 66.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.288 0.566 . . . . 25.0 109.914 176.747 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 5.6 pt-20 -60.78 -28.28 68.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -179.37 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.87 11.43 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.086 0.47 . . . . 25.0 111.255 -176.546 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -130.79 100.02 17.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.607 -0.27 . . . . 25.0 111.493 -177.145 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.67 -27.23 27.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -176.554 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -64.58 -38.41 90.93 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.701 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -72.66 -50.85 31.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.97 178.636 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -62.32 -32.69 73.48 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.256 -0.278 . . . . 25.0 111.022 -173.533 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.62 80.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 122.006 -0.434 . . . . 25.0 110.567 174.517 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -37.89 67.24 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.11 -52.92 54.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 -178.897 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.83 98.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.245 0.341 . . . . 25.0 110.148 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.52 -39.59 94.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 120.62 -0.432 . . . . 25.0 111.759 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.4 m -69.66 -35.74 75.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.771 -0.772 . . . . 25.0 109.297 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.06 -40.84 95.2 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 122.025 -0.422 . . . . 25.0 110.361 175.238 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.07 -46.38 77.92 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.166 0.508 . . . . 25.0 111.53 176.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.81 -40.01 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.797 -175.66 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -37.71 88.38 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.921 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -73.86 -31.47 63.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.0 t -83.28 -49.01 9.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.183 0.516 . . . . 25.0 111.64 -179.472 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.05 -8.67 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 118.848 2.907 . . . . 25.0 118.848 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.0 t -154.55 147.55 24.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.413 -0.804 . . . . 25.0 110.921 176.53 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -98.96 38.71 1.35 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 175.249 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.4 m 53.83 43.86 30.36 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 -179.154 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -159.12 168.01 27.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 104.775 -2.306 . . . . 25.0 104.775 171.387 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.46 134.3 55.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.924 0.869 . . . . 25.0 112.336 -177.181 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -68.28 145.54 54.14 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.542 -1.208 . . . . 25.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.69 7.85 1.16 Allowed 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.282 1.216 . . . . 25.0 114.282 177.223 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -67.81 114.39 6.36 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -74.16 72.73 1.73 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.708 0.766 . . . . 25.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.5 118.68 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.467 -0.788 . . . . 25.0 109.773 -177.382 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 155.07 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 172.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.343 1 N-CA-C 99.626 -4.212 . . . . 25.0 99.626 176.351 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.139 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -67.75 -36.76 81.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.425 -0.456 . . . . 25.0 111.233 179.443 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.49 -30.82 47.43 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 119.554 -0.858 . . . . 25.0 110.086 178.585 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.68 -41.04 98.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.894 -0.503 . . . . 25.0 111.028 178.66 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -13.56 18.68 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.555 1.317 . . . . 25.0 114.555 176.509 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -122.89 24.09 9.14 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.839 0.828 . . . . 25.0 110.377 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -115.31 85.54 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.28 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -50.59 -37.33 39.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -55.41 -38.09 68.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.052 0.842 . . . . 25.0 111.596 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -81.07 -36.06 30.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.881 -179.178 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.96 -39.73 80.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.546 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.76 -42.28 88.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.878 0.763 . . . . 25.0 111.522 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.24 -41.02 99.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 177.663 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 10.9 mt -71.78 -23.75 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.99 -35.86 77.93 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 178.371 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.71 -45.56 13.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.644 176.312 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -60.0 -40.0 87.71 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.074 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.34 -37.16 77.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -73.84 -26.35 60.54 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 179.534 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.5 p -63.36 -28.3 69.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.923 0.783 . . . . 25.0 113.03 -175.827 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -6.89 50.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.96 0.41 . . . . 25.0 110.982 179.051 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.18 3.81 57.94 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 114.266 0.466 . . . . 25.0 114.266 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -80.76 106.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -81.95 84.5 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.071 -176.399 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 176.686 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -73.6 147.84 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.248 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -47.89 76.24 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 111.485 0.18 . . . . 25.0 111.485 177.552 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.51 74.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 120.754 0.312 . . . . 25.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -53.66 8.69 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.189 -0.604 . . . . 25.0 111.409 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.89 -19.98 61.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 178.422 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -55.15 -39.13 69.13 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.862 -0.524 . . . . 25.0 110.403 172.316 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -79.36 -23.91 43.05 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.959 -0.463 . . . . 25.0 111.64 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -70.68 -22.24 62.49 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.71 -34.61 22.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.786 -0.571 . . . . 25.0 110.491 177.433 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.16 -33.88 74.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.74 -32.49 54.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 121.743 -0.598 . . . . 25.0 110.541 177.391 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -63.69 -32.6 74.14 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.891 -0.506 . . . . 25.0 112.079 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.1 -53.48 20.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.177 0.513 . . . . 25.0 110.666 178.74 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.73 -28.94 58.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -175.892 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.01 78.95 58.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.206 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -69.29 -15.53 38.92 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 118.262 -0.692 . . . . 25.0 112.077 177.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.352 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -65.13 -51.56 54.01 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 121.437 -0.79 . . . . 25.0 111.554 178.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.84 -20.1 30.15 Favored 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 113.083 -4.144 . . . . 25.0 113.481 176.347 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.6 -39.36 93.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.731 0.301 . . . . 25.0 111.37 179.249 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -67.98 -23.53 65.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 121.022 -0.271 . . . . 25.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.81 57.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.805 -0.236 . . . . 25.0 113.321 176.199 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -133.42 129.66 37.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 -173.546 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.9 mt -124.99 112.51 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.782 1.277 . . . . 25.0 109.683 -178.055 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -152.08 169.0 23.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 103.106 -2.924 . . . . 25.0 103.106 179.008 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -30.2 49.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 118.157 0.435 . . . . 25.0 110.957 178.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -67.59 -31.59 71.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.757 -0.589 . . . . 25.0 110.425 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -81.24 -39.84 24.7 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.207 0.527 . . . . 25.0 109.591 178.439 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 25.0 111.565 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.77 -36.9 80.1 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.147 -0.454 . . . . 25.0 111.181 176.111 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -53.78 -36.05 62.0 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 120.788 0.328 . . . . 25.0 111.434 176.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.41 -40.29 79.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.154 0.502 . . . . 25.0 110.674 -175.014 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -37.9 70.03 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.965 -1.254 . . . . 25.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.06 -41.9 98.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 177.528 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.88 91.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.592 179.427 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.43 -38.81 91.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 179.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -66.79 -41.58 87.39 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.874 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.65 -38.85 77.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.508 0.67 . . . . 25.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 176.767 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -67.65 -34.08 76.23 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.499 -0.318 . . . . 25.0 110.579 175.73 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.53 -32.59 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 177.843 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -81.12 -43.59 19.19 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -176.345 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -123.26 5.73 9.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.457 1.651 . . . . 25.0 115.457 -174.222 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.27 -168.88 47.57 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 116.043 1.177 . . . . 25.0 116.043 174.752 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -61.67 -16.37 48.02 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.798 2.998 . . . . 25.0 115.301 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.71 -35.99 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -175.452 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -91.47 -43.41 9.72 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.487 178.458 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.62 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 105.879 -1.897 . . . . 25.0 105.879 174.546 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.43 155.82 14.26 Favored 'Trans proline' 0 CA--C 1.517 -0.339 0 C-N-CA 115.827 -2.316 . . . . 25.0 111.905 177.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.24 -21.72 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.77 -0.581 . . . . 25.0 110.914 176.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -73.5 -19.94 60.8 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.509 -0.745 . . . . 25.0 111.335 177.554 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.34 83.61 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 179.271 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -70.09 -34.08 72.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.217 0.532 . . . . 25.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -69.26 -44.09 72.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.87 -0.789 . . . . 25.0 108.87 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -64.56 -44.0 92.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.792 -0.64 . . . . 25.0 109.398 176.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -58.03 -40.1 80.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.415 -0.357 . . . . 25.0 111.713 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.43 -30.69 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.463 -179.393 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.07 -45.09 82.53 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.94 -31.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.513 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -58.61 -45.32 89.43 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 119.0 -0.524 . . . . 25.0 109.996 179.408 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -27.95 62.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 119.109 0.868 . . . . 25.0 111.125 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -41.29 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.139 -0.224 . . . . 25.0 110.748 176.798 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.85 -39.23 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.808 -0.357 . . . . 25.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.24 -33.62 67.75 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.837 0.351 . . . . 25.0 110.868 -178.62 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -120.33 33.57 5.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.226 0.536 . . . . 25.0 111.994 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -66.53 -19.13 65.71 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.181 0.515 . . . . 25.0 110.366 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.62 -31.39 72.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.26 7.47 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.647 0.737 . . . . 25.0 109.869 179.502 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -126.97 79.77 72.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.496 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.01 -18.77 46.21 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 117.489 -1.207 . . . . 25.0 113.957 -176.881 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.62 -44.91 89.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 179.475 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.91 -29.02 9.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 C-N-CA 120.087 -0.645 . . . . 25.0 110.504 -179.796 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -60.02 -40.76 90.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.453 0.57 . . . . 25.0 110.241 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.019 -0.426 . . . . 25.0 110.59 176.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.65 -34.35 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.227 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.65 -49.16 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 177.55 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.41 98.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.388 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.69 -36.2 83.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.004 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.6 m -66.95 -38.56 86.35 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.631 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.3 -35.3 79.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 119.083 -0.484 . . . . 25.0 111.439 176.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.14 -47.81 81.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.579 0.704 . . . . 25.0 110.221 176.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.2 mt -64.1 -32.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.502 -0.772 . . . . 25.0 109.909 -176.077 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.38 -27.46 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -81.58 -20.21 40.33 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.826 -0.546 . . . . 25.0 111.588 176.456 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.0 t -80.82 -15.45 56.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.514 0.673 . . . . 25.0 109.26 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 164.85 22.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 176.482 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -71.39 82.14 0.78 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -178.834 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -73.24 -34.65 66.0 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.742 1.016 . . . . 25.0 113.742 -178.369 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p 55.24 -178.15 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.498 2.036 . . . . 25.0 116.498 -178.299 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -83.27 -22.04 33.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.203 1.001 . . . . 25.0 112.623 -175.753 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt 60.58 143.65 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 117.984 2.587 . . . . 25.0 117.984 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -55.99 121.82 10.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.054 -1.43 . . . . 25.0 112.133 -176.035 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.1 m80 36.12 44.71 0.28 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.452 1.101 . . . . 25.0 113.871 -177.75 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.16 56.26 0.79 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.296 1.591 . . . . 25.0 115.296 -176.091 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -76.72 52.77 0.85 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -179.168 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.24 146.52 25.49 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 177.033 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -118.12 6.02 12.03 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.878 0.695 . . . . 25.0 112.878 -179.189 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.839 0 N-CA-C 103.899 -2.63 . . . . 25.0 103.899 177.553 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.182 0 N-CA-C 114.093 0.397 . . . . 25.0 114.093 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.66 -42.6 77.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.16 -0.612 . . . . 25.0 110.098 -174.9 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -71.35 -30.49 66.23 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.302 -178.738 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.52 -38.93 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.984 -0.448 . . . . 25.0 110.401 176.132 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.52 -8.11 31.22 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.402 0.89 . . . . 25.0 113.402 175.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -108.8 -13.3 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 25.0 111.282 179.405 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -81.06 94.17 6.54 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 122.107 -0.37 . . . . 25.0 110.179 -178.453 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -43.66 -44.92 6.68 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.855 1.798 . . . . 25.0 115.855 -173.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.8 -34.18 74.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.521 0.676 . . . . 25.0 112.105 -178.171 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -83.75 -39.83 19.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.256 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.3 -41.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.729 177.424 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.61 -43.66 93.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.994 0.816 . . . . 25.0 111.572 178.771 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.45 -41.54 96.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 178.216 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.48 -23.62 65.51 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.05 -33.45 75.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.87 -45.2 13.5 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.46 -0.336 . . . . 25.0 110.297 177.349 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.09 96.44 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 -176.23 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.79 88.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.647 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.34 -43.62 85.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -68.63 -18.67 64.34 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -177.614 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -21.56 61.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.094 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.05 22.54 78.77 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.023 -0.608 . . . . 25.0 113.604 176.483 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.26 143.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 25.0 110.085 -176.363 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -83.19 84.44 7.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 25.0 110.166 -178.1 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -131.5 132.77 62.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -79.0 158.74 27.88 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.03 -46.28 78.88 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 121.937 -0.477 . . . . 25.0 110.484 173.88 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.67 76.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -67.7 -43.46 80.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -176.766 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.58 -55.3 10.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.316 0.579 . . . . 25.0 111.78 -177.239 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.0 -19.83 65.47 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.301 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -60.17 -32.0 70.64 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 119.961 -0.696 . . . . 25.0 110.623 173.278 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.9 -23.81 36.06 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.571 -0.705 . . . . 25.0 111.776 178.315 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.36 -25.65 65.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 169.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.65 -22.78 37.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.153 0.501 . . . . 25.0 111.258 176.912 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -71.94 -41.28 68.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.809 -0.557 . . . . 25.0 109.732 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.17 -26.43 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 122.091 -0.381 . . . . 25.0 110.082 177.731 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.64 -39.25 76.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.747 0.308 . . . . 25.0 110.35 176.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.5 -55.24 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.804 -0.635 . . . . 25.0 112.684 -178.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -24.54 62.79 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -174.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.85 76.76 70.78 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.817 176.356 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.9 -12.76 28.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.72 0.633 . . . . 25.0 112.327 -177.798 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -17.9 38.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.82 176.523 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.81 -49.21 87.02 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -177.729 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.09 -20.46 37.94 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 113.061 -4.16 . . . . 25.0 113.954 177.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.75 -15.64 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.889 0.329 . . . . 25.0 111.889 178.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -77.99 -30.62 50.26 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.342 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.22 20.52 58.48 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.749 -175.717 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -131.22 127.33 37.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -173.165 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -128.81 105.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.799 1.285 . . . . 25.0 109.757 -177.667 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -146.77 166.91 25.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 104.646 -2.353 . . . . 25.0 104.646 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.46 -30.2 47.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -65.73 -27.4 68.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.253 -0.279 . . . . 25.0 111.622 179.58 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.59 -49.0 8.37 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.631 0.729 . . . . 25.0 109.126 175.072 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -59.14 -35.83 74.16 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 114.854 1.428 . . . . 25.0 114.854 -175.364 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -58.41 -36.71 73.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.953 0.406 . . . . 25.0 111.942 -176.621 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -63.87 -21.02 66.26 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.45 1.278 . . . . 25.0 114.45 177.042 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 -37.72 80.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -35.13 64.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.871 -0.892 . . . . 25.0 110.871 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.13 -41.51 98.33 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 176.509 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -43.47 96.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.958 179.098 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -63.89 -38.18 90.15 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -68.05 -39.6 82.99 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 121.069 -0.252 . . . . 25.0 110.636 -177.665 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.27 -45.01 93.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.633 0.73 . . . . 25.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.25 -35.2 79.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -65.61 -37.29 86.18 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.652 176.849 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.03 -33.55 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.883 -0.511 . . . . 25.0 111.659 -177.123 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -69.64 -42.77 73.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -175.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.24 1.66 6.41 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.598 1.703 . . . . 25.0 115.598 -174.249 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.94 -162.86 48.97 Favored Glycine 0 C--O 1.243 0.709 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.371 -178.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.64 -7.31 21.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 121.179 1.253 . . . . 25.0 114.386 -178.018 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -74.9 -5.82 45.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -115.46 -46.5 2.87 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 179.317 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.16 131.04 24.47 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 176.552 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -76.63 153.51 34.29 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 114.612 -3.125 . . . . 25.0 111.382 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.83 -20.95 28.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 121.841 -0.537 . . . . 25.0 110.625 177.07 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.2 -17.95 60.83 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.661 -0.65 . . . . 25.0 111.593 177.384 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.2 82.96 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.571 -0.706 . . . . 25.0 109.478 178.23 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -72.67 -28.63 62.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.304 0.573 . . . . 25.0 110.738 178.152 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -73.97 -44.45 54.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 179.591 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.57 -43.12 99.59 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.221 175.482 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -57.9 -37.99 75.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.735 0.302 . . . . 25.0 111.211 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -69.42 -30.51 68.48 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.3 -44.16 88.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.172 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.97 -31.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.183 0.516 . . . . 25.0 109.795 179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -52.6 -51.14 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.22 -0.3 . . . . 25.0 111.313 179.425 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.2 -29.38 66.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.226 -0.589 . . . . 25.0 111.578 -178.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.41 -40.07 89.35 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.224 -0.297 . . . . 25.0 111.2 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -77.24 -42.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 178.159 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.22 -36.99 78.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 25.0 110.717 -176.463 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -113.87 38.64 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.08 -25.22 65.23 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.226 0.536 . . . . 25.0 109.784 176.157 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.95 -30.09 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -179.18 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.21 7.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 121.516 0.674 . . . . 25.0 110.063 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -125.46 78.07 68.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.677 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -19.07 42.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.465 -1.224 . . . . 25.0 114.406 -175.819 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 178.163 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.02 -27.12 14.77 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 C-N-CA 119.98 -0.688 . . . . 25.0 110.589 -177.628 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -41.56 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.809 0.731 . . . . 25.0 110.669 178.019 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.65 -27.92 68.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.086 0.47 . . . . 25.0 110.419 176.561 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.42 -30.47 53.5 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.77 -48.21 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 176.376 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.85 98.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.08 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.62 -40.79 96.12 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.479 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -66.86 -37.76 85.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.0 -39.9 93.8 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.001 -0.437 . . . . 25.0 110.664 177.482 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.27 -41.2 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.235 -0.29 . . . . 25.0 111.546 178.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.06 -37.76 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.59 -36.28 80.21 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.13 -0.356 . . . . 25.0 111.276 176.914 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -74.82 -22.15 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.109 -0.37 . . . . 25.0 111.768 177.564 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.5 t -83.5 -17.09 43.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.189 0.519 . . . . 25.0 110.106 176.442 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -80.83 175.39 10.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 176.609 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 m -67.61 92.8 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.61 0.966 . . . . 25.0 113.61 -178.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.3 68.8 5.39 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 173.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.2 m -55.47 118.06 4.13 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 121.728 0.775 . . . . 25.0 111.599 -175.255 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.61 84.33 7.3 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 123.076 1.417 . . . . 25.0 109.358 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.5 mt -67.13 4.49 0.9 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 115.273 1.582 . . . . 25.0 115.273 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 69.74 -45.85 0.58 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 117.151 2.278 . . . . 25.0 117.151 169.587 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -66.68 53.78 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 117.135 2.272 . . . . 25.0 117.135 -173.519 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -150.92 107.32 3.48 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.005 0.922 . . . . 25.0 109.362 175.31 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -118.48 73.28 0.9 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.167 0.508 . . . . 25.0 109.751 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.21 105.02 2.81 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 118.862 -0.59 . . . . 25.0 109.422 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 39.0 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -179.149 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.24 -1.362 . . . . 25.0 108.107 174.791 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.143 0 N-CA-C 112.712 -0.155 . . . . 25.0 112.712 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.15 -36.65 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.927 0.363 . . . . 25.0 111.451 178.839 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.24 -43.23 61.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 176.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.7 -41.87 91.75 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.668 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -59.77 -24.4 64.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.741 1.756 . . . . 25.0 115.741 172.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -98.2 -14.08 20.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 25.0 110.333 -178.708 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -80.51 75.95 7.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.66 -33.61 10.3 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 -173.246 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -62.07 -33.21 73.99 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.224 -0.923 . . . . 25.0 112.303 177.814 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -83.64 -38.06 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 177.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.29 -39.62 68.85 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 CA-C-O 118.892 -0.575 . . . . 25.0 110.105 176.33 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -55.69 -45.01 77.89 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.343 0.974 . . . . 25.0 112.039 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -69.07 -34.47 75.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.822 -0.549 . . . . 25.0 110.226 178.707 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.244 -0.583 . . . . 25.0 112.144 175.041 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.59 -38.68 91.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.667 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.89 -48.37 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 176.169 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.03 92.41 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.544 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.68 -39.06 90.92 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 178.875 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.07 -45.88 83.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 -179.151 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -70.97 -18.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.569 -0.453 . . . . 25.0 111.057 -179.099 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -26.31 57.48 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.233 -0.292 . . . . 25.0 110.513 176.479 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 11.38 74.86 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 111.072 -0.811 . . . . 25.0 111.072 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.19 125.66 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.71 0.767 . . . . 25.0 110.345 -172.509 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.7 84.64 3.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -147.59 139.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -179.046 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.92 138.45 58.38 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 178.512 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -51.37 25.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -179.568 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.79 -29.04 69.88 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 120.924 0.392 . . . . 25.0 111.259 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.56 -19.34 45.88 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.513 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.61 -52.19 8.3 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.552 -1.277 . . . . 25.0 107.552 173.097 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' ' 35' ' ' PHE . 4.3 mm? -52.8 -33.32 48.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.976 176.133 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -49.78 -38.04 32.52 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -73.16 -24.26 60.55 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.657 -0.652 . . . . 25.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' A' ' 32' ' ' LEU . 29.7 m-85 -73.37 -24.21 60.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.228 174.068 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.26 -29.58 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.462 0.649 . . . . 25.0 109.331 177.31 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.88 -34.09 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.288 178.342 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.11 -30.74 42.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.161 -0.616 . . . . 25.0 109.817 177.299 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -37.68 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 178.724 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.98 -47.91 34.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.154 -179.408 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -72.71 -38.23 67.56 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -176.397 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 82.74 45.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 122.134 -0.353 . . . . 25.0 110.225 -178.157 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.6 -16.75 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 CA-C-O 121.669 0.612 . . . . 25.0 112.037 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -11.04 59.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.018 176.392 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -71.17 -52.72 8.93 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.394 -0.816 . . . . 25.0 111.857 177.41 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.45 -20.06 48.45 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 113.61 -3.793 . . . . 25.0 113.453 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -63.16 -25.11 68.19 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.597 0.359 . . . . 25.0 111.951 177.357 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.03 -16.65 62.62 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.859 -0.526 . . . . 25.0 111.273 178.217 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.74 14.33 43.36 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 116.176 1.23 . . . . 25.0 116.176 174.854 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -137.88 140.06 40.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -173.303 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mm -114.18 113.65 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 122.895 1.331 . . . . 25.0 109.517 178.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -152.11 158.47 43.01 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.109 -1.405 . . . . 25.0 107.654 176.193 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.65 -29.95 48.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.231 -176.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -66.26 -33.16 75.11 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.065 -0.397 . . . . 25.0 110.063 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -81.38 -33.87 32.03 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.238 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -63.78 -26.6 68.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.708 177.138 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -55.06 -46.62 75.42 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 176.127 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -57.61 -29.41 64.5 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -177.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.23 -40.15 80.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.594 0.711 . . . . 25.0 109.207 -179.556 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -35.94 59.12 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.499 -1.04 . . . . 25.0 110.499 178.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.1 -37.91 89.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 177.218 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -44.33 96.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 25.0 111.239 177.532 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.16 -38.0 89.18 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.271 -0.572 . . . . 25.0 109.524 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -64.29 -43.68 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.65 0.262 . . . . 25.0 110.739 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -62.86 -48.32 79.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.745 0.783 . . . . 25.0 109.628 -177.726 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -33.32 75.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.854 179.444 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -67.82 -36.91 81.21 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.907 -0.496 . . . . 25.0 110.906 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.784 -0.572 . . . . 25.0 109.868 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.5 m -69.67 -43.07 73.3 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.34 6.51 7.02 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.112 1.893 . . . . 25.0 116.112 -170.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.08 -177.69 50.04 Favored Glycine 0 C--O 1.243 0.715 0 N-CA-C 116.775 1.47 . . . . 25.0 116.775 174.714 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.66 -9.39 23.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.329 2.019 . . . . 25.0 114.604 -178.483 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.61 -20.51 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.301 0.572 . . . . 25.0 110.437 178.544 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -95.96 -49.43 5.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.573 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.82 130.95 24.19 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.99 153.97 22.45 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 115.317 -2.655 . . . . 25.0 111.782 178.382 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.47 -20.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.769 -0.582 . . . . 25.0 110.659 176.22 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.91 -19.92 61.17 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.618 -0.676 . . . . 25.0 111.197 177.713 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.75 83.81 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.499 0.59 . . . . 25.0 109.659 179.311 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -71.0 -30.37 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.324 0.583 . . . . 25.0 111.073 178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -74.82 -42.37 58.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 -179.746 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.41 -44.0 95.89 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 175.364 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.66 -36.99 75.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.168 0.509 . . . . 25.0 111.306 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -70.66 -36.03 73.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 122.892 0.477 . . . . 25.0 110.812 -177.519 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.77 -36.58 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.398 -179.228 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.97 -28.4 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.678 -0.237 . . . . 25.0 110.565 178.039 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -57.15 -41.92 80.03 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.578 -0.701 . . . . 25.0 110.711 -179.532 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.93 -24.7 59.71 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 110.971 -177.535 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.7 -40.29 63.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.324 -0.235 . . . . 25.0 110.966 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.5 mt -73.87 -39.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.64 -35.55 74.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.748 0.308 . . . . 25.0 110.3 -177.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -113.22 32.57 5.65 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 178.377 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -63.78 -23.71 67.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.45 0.643 . . . . 25.0 110.048 175.777 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -61.91 -24.06 66.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.91 11.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.094 0.473 . . . . 25.0 110.735 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -129.62 85.55 58.21 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 121.047 0.451 . . . . 25.0 110.972 -177.082 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.26 -24.35 43.96 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 N-CA-C 116.892 1.843 . . . . 25.0 116.892 -171.36 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.52 -35.08 79.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.759 0.709 . . . . 25.0 109.405 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.83 -30.61 6.91 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.747 178.938 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -62.82 -35.91 81.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 25.0 111.377 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.33 70.95 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.042 -0.411 . . . . 25.0 110.698 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.63 -34.56 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.887 -0.782 . . . . 25.0 108.887 179.275 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.95 -49.8 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 176.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.83 94.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 25.0 110.504 -178.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.3 -36.57 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 178.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.5 m -61.76 -44.14 97.48 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 178.553 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -58.18 -38.76 77.32 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 176.724 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.85 -45.38 86.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.477 0.656 . . . . 25.0 110.564 178.071 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.45 -32.88 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.134 -177.567 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -31.66 71.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.344 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.28 -27.28 68.93 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 122.052 -0.405 . . . . 25.0 111.726 177.106 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -83.47 -18.69 37.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.122 0.487 . . . . 25.0 112.019 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -86.44 75.5 9.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 -178.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -60.83 -24.27 65.74 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -174.658 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -170.77 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.168 -1.378 . . . . 25.0 111.706 176.863 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.6 m 53.26 54.97 9.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 123.45 1.595 . . . . 25.0 109.922 179.575 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -75.56 50.13 0.53 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 112.78 -2.009 . . . . 25.0 115.095 -175.01 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -103.98 149.55 25.04 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.908 -0.495 . . . . 25.0 111.314 177.413 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.93 146.97 50.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 106.542 -1.651 . . . . 25.0 106.542 178.752 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.52 38.88 1.26 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -56.75 -31.14 64.29 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.727 -0.608 . . . . 25.0 112.447 178.075 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.32 -10.74 5.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -177.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -64.83 0.75 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.938 -0.553 . . . . 25.0 112.383 178.401 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.9 m80 65.86 122.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.67 1.188 . . . . 25.0 112.369 -170.53 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.6 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 115.733 -2.079 . . . . 25.0 109.894 -179.477 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.219 0 N-CA-C 111.289 -0.724 . . . . 25.0 111.289 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.74 -39.87 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.752 -0.263 . . . . 25.0 110.57 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -71.2 -38.32 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.251 0.548 . . . . 25.0 111.331 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.27 -41.23 96.59 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.747 -0.595 . . . . 25.0 109.68 177.608 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 -8.79 56.27 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 174.814 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -98.59 -24.03 15.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.152 0.977 . . . . 25.0 108.891 -178.561 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -85.24 92.34 8.39 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.599 -0.728 . . . . 25.0 109.568 179.846 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -53.51 -28.6 31.96 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -178.634 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -57.66 -32.6 67.47 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.779 -0.576 . . . . 25.0 111.47 175.258 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -87.88 -40.86 13.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.225 0.61 . . . . 25.0 109.891 179.056 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 16' ' ' LYS . 45.6 t -59.02 -36.69 63.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-N 115.679 -0.691 . . . . 25.0 109.781 -179.421 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.82 -50.0 69.65 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.774 0.716 . . . . 25.0 112.722 178.312 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -64.37 -40.37 95.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.161 0.981 . . . . 25.0 109.166 178.123 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -69.56 -23.58 63.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.027 -176.793 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' HG12 ' A' ' 12' ' ' VAL . 68.2 mttt -61.19 -40.27 93.3 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.247 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.31 -41.55 21.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.909 177.253 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -62.64 -38.83 91.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.221 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.51 -39.6 91.55 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -29.67 26.67 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -175.548 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t -69.71 -18.06 63.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.632 0.651 . . . . 25.0 110.477 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.89 -14.68 59.86 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.929 -0.482 . . . . 25.0 110.389 174.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.11 -20.6 9.68 Favored Glycine 0 CA--C 1.517 0.2 0 CA-C-O 121.333 0.407 . . . . 25.0 113.567 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 t -76.02 124.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -177.142 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -83.77 84.34 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.952 -0.467 . . . . 25.0 110.395 -176.956 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.3 153.03 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.176 0.513 . . . . 25.0 109.879 178.367 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.06 141.48 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 175.091 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -51.58 61.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.28 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.48 81.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -177.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.41 -34.15 58.82 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.913 -0.315 . . . . 25.0 110.346 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.85 -53.7 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.158 0.504 . . . . 25.0 110.254 -179.386 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.97 -20.91 66.36 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.537 0.569 . . . . 25.0 112.537 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -63.56 -28.53 70.0 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.395 -0.922 . . . . 25.0 110.169 175.508 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.28 -23.8 43.35 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.217 -0.927 . . . . 25.0 112.007 175.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.95 -36.9 78.47 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 106.171 -1.789 . . . . 25.0 106.171 172.075 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.71 -32.55 73.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.774 -1.103 . . . . 25.0 110.41 179.233 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.02 -37.89 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.113 -0.494 . . . . 25.0 111.558 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -66.11 -29.12 45.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 119.787 -0.765 . . . . 25.0 109.998 179.58 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.33 -37.15 86.48 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.114 -177.058 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.1 -52.75 25.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.679 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -74.01 -29.26 61.85 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.27 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -124.01 75.14 58.19 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.26 -177.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.22 -17.07 40.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.043 -0.838 . . . . 25.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.48 -13.18 59.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.626 176.592 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -69.0 -54.36 12.35 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 121.311 -0.868 . . . . 25.0 111.573 177.884 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.18 -17.16 35.83 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 113.665 -3.757 . . . . 25.0 113.306 177.141 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.05 -33.61 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.386 0.274 . . . . 25.0 111.62 178.117 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.86 -21.99 61.59 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.989 -0.444 . . . . 25.0 110.868 177.496 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.4 20.3 36.67 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.149 0.82 . . . . 25.0 115.149 177.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -130.73 132.77 45.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.673 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mm -105.63 112.69 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 122.921 1.343 . . . . 25.0 109.967 179.568 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -149.74 161.04 43.0 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.872 -1.513 . . . . 25.0 107.197 174.336 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -67.08 -28.92 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.418 -0.355 . . . . 25.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 90.5 mttt -67.17 -34.94 78.6 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.903 -0.498 . . . . 25.0 109.889 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -70.38 -38.13 74.67 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.46 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -66.88 -27.53 67.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 27.5 mmt180 -57.91 -47.36 83.05 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.65 -30.57 63.48 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -178.533 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.22 -41.07 88.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.703 . . . . 25.0 109.911 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -33.93 43.85 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.351 -0.928 . . . . 25.0 110.832 -179.199 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.93 -38.78 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.37 -44.51 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.658 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.18 -37.58 87.8 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 179.205 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.08 -41.55 86.17 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.304 -0.158 . . . . 25.0 111.01 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.53 -47.07 83.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.699 0.762 . . . . 25.0 109.095 -178.709 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -37.35 87.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.108 178.712 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.59 -37.03 84.05 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 122.185 -0.322 . . . . 25.0 111.517 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -34.44 63.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.472 -0.767 . . . . 25.0 109.755 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.7 m -67.84 -43.03 80.49 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.27 2.27 6.38 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 117.284 2.327 . . . . 25.0 117.284 -171.884 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.64 178.35 52.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.194 1.638 . . . . 25.0 117.194 174.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.38 -15.18 31.29 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.646 2.23 . . . . 25.0 113.862 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.64 -14.46 61.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.589 0.709 . . . . 25.0 109.738 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.03 -44.58 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.088 -178.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.72 130.88 23.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 178.204 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.19 149.49 19.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 115.219 -2.72 . . . . 25.0 112.722 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.58 -19.75 26.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 121.826 -0.546 . . . . 25.0 110.862 176.327 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.68 -19.03 61.49 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.605 -0.685 . . . . 25.0 111.221 177.565 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -37.64 88.09 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -71.6 -33.06 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.293 0.568 . . . . 25.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -69.05 -45.89 69.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.72 -41.62 98.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 25.0 109.885 176.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.11 -40.17 80.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.077 179.314 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.06 -29.32 70.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -179.399 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.01 -41.26 97.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.53 0.681 . . . . 25.0 109.85 179.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.69 -29.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 179.277 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.78 -52.61 64.36 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -67.35 -22.42 65.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -178.331 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.0 tp -79.77 -42.52 24.32 Favored 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 122.879 0.472 . . . . 25.0 111.445 -177.053 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.02 -34.91 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 176.287 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.61 -28.86 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.998 0.519 . . . . 25.0 110.968 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -122.84 32.67 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.11 0.481 . . . . 25.0 112.283 -179.084 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -63.15 -24.87 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.693 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.3 -26.51 67.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -178.309 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -109.2 10.61 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.663 0.744 . . . . 25.0 109.835 177.84 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.1 81.51 62.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.691 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -65.75 -17.71 56.88 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.325 -1.316 . . . . 25.0 113.722 -178.708 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -63.45 -44.3 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -84.84 -25.25 6.99 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.986 179.543 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -39.39 80.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.979 0.809 . . . . 25.0 110.716 179.838 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.24 79.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.329 175.436 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.79 59.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 122.314 -0.241 . . . . 25.0 110.701 -178.439 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.02 -48.77 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 107.589 -1.263 . . . . 25.0 107.589 177.257 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.18 88.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.953 179.483 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.8 -38.52 90.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.039 -0.413 . . . . 25.0 111.393 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.1 m -63.64 -44.62 93.33 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.595 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.08 -46.67 85.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.697 -0.401 . . . . 25.0 111.441 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -64.07 -37.46 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 25.0 111.679 -178.637 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -70.32 -38.66 75.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.569 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.344 -0.222 . . . . 25.0 110.881 177.742 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -67.18 -30.05 69.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.224 0.535 . . . . 25.0 110.44 177.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t -83.4 -15.95 47.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -64.37 146.98 53.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.04 0.924 . . . . 25.0 112.464 -173.403 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.8 p -77.23 163.83 26.16 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.985 -1.007 . . . . 25.0 108.933 176.602 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -57.89 -35.79 71.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.759 -1.11 . . . . 25.0 111.364 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -137.95 142.36 40.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 176.13 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -141.12 12.23 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.48 0.712 . . . . 25.0 111.807 -173.154 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 pp -77.84 155.31 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.535 0.683 . . . . 25.0 112.576 -175.372 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.64 146.98 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.519 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.26 23.82 0.57 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.44 32.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -172.625 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -66.81 146.07 54.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.913 -0.492 . . . . 25.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -127.49 21.07 6.63 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -179.021 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 62.79 93.96 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.769 0.828 . . . . 25.0 110.087 -167.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 . . . . . 0 C--O 1.238 0.488 0 N-CA-C 105.069 -2.197 . . . . 25.0 105.069 172.088 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 0 CA-C-O 120.237 -0.202 . . . . 25.0 112.828 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -64.62 -36.89 85.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.374 0.587 . . . . 25.0 110.826 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.93 -28.12 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.295 0.569 . . . . 25.0 110.425 178.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.02 -38.87 92.3 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.881 -0.512 . . . . 25.0 110.575 175.032 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -8.48 45.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 172.82 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -94.76 -17.4 22.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.093 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.88 101.28 13.23 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 122.091 -0.381 . . . . 25.0 110.032 -179.51 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.86 -36.99 63.21 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 -173.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -63.95 -37.33 87.02 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.939 0.791 . . . . 25.0 111.279 178.277 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -71.53 -43.6 66.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.751 0.786 . . . . 25.0 108.965 179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.69 -40.93 78.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 CA-C-N 114.847 -1.069 . . . . 25.0 109.748 176.729 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.23 -48.18 79.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.091 0.859 . . . . 25.0 112.229 179.178 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.65 -40.19 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 25.0 109.948 178.143 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -71.45 -24.12 61.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.771 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -60.52 -41.83 95.21 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 175.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -74.84 -41.57 59.62 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.825 178.884 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.77 79.03 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -176.588 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.51 -37.73 88.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 177.135 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -63.64 -45.79 88.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.292 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 p -68.77 -20.8 64.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.246 0.476 . . . . 25.0 111.77 -178.624 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -74.4 -20.73 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.364 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.45 79.32 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 121.125 -0.559 . . . . 25.0 113.55 175.106 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -120.91 138.82 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.709 0.766 . . . . 25.0 110.441 -175.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -85.35 84.29 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.213 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.5 t -114.85 134.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 177.388 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -64.36 135.69 56.41 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.093 -1.817 . . . . 25.0 106.093 177.881 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -47.26 68.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.806 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.27 70.55 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.86 179.068 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.92 -31.56 51.17 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.22 -52.55 32.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 176.229 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -20.05 66.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.75 -40.04 72.0 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 173.44 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -77.02 -24.28 52.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.8 -21.8 61.66 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 172.203 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.0 -38.46 25.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 176.686 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.0 -31.97 73.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.871 -0.732 . . . . 25.0 109.478 177.289 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -64.51 -36.89 85.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.56 -0.712 . . . . 25.0 111.297 179.541 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.97 -35.63 81.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.152 0.501 . . . . 25.0 111.768 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -91.51 -25.68 19.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.758 0.789 . . . . 25.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.9 m -131.5 82.24 62.22 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 123.381 0.672 . . . . 25.0 110.747 -178.173 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.6 -21.42 34.26 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 117.789 -1.007 . . . . 25.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -18.44 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.494 -0.775 . . . . 25.0 113.016 178.169 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.79 -54.39 47.78 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 121.681 -0.637 . . . . 25.0 111.384 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.41 -15.96 22.05 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 113.953 -3.564 . . . . 25.0 114.29 176.44 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.08 -47.98 72.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.606 -0.516 . . . . 25.0 109.606 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.53 -37.03 60.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 175.124 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 69.65 10.43 63.86 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-N 115.234 -0.894 . . . . 25.0 114.854 176.446 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.441 ' HB ' HH11 ' A' ' 55' ' ' ARG . 22.8 m -82.73 116.25 22.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.749 0.775 . . . . 25.0 109.04 179.365 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -112.65 99.17 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 123.357 1.551 . . . . 25.0 111.116 -176.121 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.49 166.41 29.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 104.261 -2.496 . . . . 25.0 104.261 175.581 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tp -61.38 -28.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.538 0.209 . . . . 25.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -59.14 -38.92 80.84 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.787 -0.571 . . . . 25.0 111.027 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 HH11 ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -85.36 -38.22 19.0 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 120.466 0.174 . . . . 25.0 111.215 177.185 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -63.06 -30.55 71.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 -178.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -60.97 -39.88 91.26 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.942 -0.474 . . . . 25.0 111.338 174.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.98 67.87 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 177.197 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.88 -38.51 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 176.209 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.824 -0.91 . . . . 25.0 110.824 178.83 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -59.88 -42.73 94.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 175.41 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.73 96.53 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.172 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -63.83 -37.96 89.34 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.019 -0.672 . . . . 25.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.48 -50.89 69.62 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.492 -0.558 . . . . 25.0 109.492 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.9 -37.66 79.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.23 -0.441 . . . . 25.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.05 -34.84 75.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 178.136 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.94 -38.93 92.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.527 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.18 -29.76 68.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.843 0.354 . . . . 25.0 111.115 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 m -83.06 -41.21 18.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.3 0.852 . . . . 25.0 113.3 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -117.51 -0.88 11.8 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.739 1.755 . . . . 25.0 115.739 -171.794 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.41 175.82 43.72 Favored Glycine 0 C--O 1.249 1.085 0 N-CA-C 116.362 1.305 . . . . 25.0 116.362 176.342 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.01 -15.82 44.02 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.731 2.287 . . . . 25.0 115.401 -178.924 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.51 -26.94 61.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.068 -0.395 . . . . 25.0 111.163 178.087 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -95.38 -48.42 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.426 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.6 t -108.0 130.93 22.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.74 156.0 10.3 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 115.962 -2.225 . . . . 25.0 112.117 177.553 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.04 -21.51 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.688 -0.632 . . . . 25.0 110.841 176.217 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 t -74.35 -17.6 60.81 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.696 -0.627 . . . . 25.0 111.287 177.545 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.13 79.69 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.54 -32.05 69.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.228 0.537 . . . . 25.0 110.909 178.01 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -45.73 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -62.42 -43.97 97.55 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.512 176.219 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -57.19 -39.45 75.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.716 0.293 . . . . 25.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.91 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.774 -178.739 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -45.21 95.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.12 -0.326 . . . . 25.0 110.12 178.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.72 -32.3 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.743 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -58.42 -44.19 88.98 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.537 -0.727 . . . . 25.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.19 -27.34 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.089 -0.644 . . . . 25.0 110.576 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.55 -40.4 94.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 172.388 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.38 -40.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 121.261 -0.176 . . . . 25.0 110.915 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.27 -35.84 72.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.324 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.01 33.58 4.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -67.28 -21.11 65.71 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 171.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -128.5 4.0 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.978 0.894 . . . . 25.0 111.271 -175.283 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.24 85.62 58.01 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.47 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.9 -18.16 57.02 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 116.948 -1.568 . . . . 25.0 113.773 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.06 -43.91 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.99 -29.69 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.581 -178.163 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -62.43 -39.01 91.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.322 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.86 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.055 -0.403 . . . . 25.0 110.577 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.63 56.19 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 178.593 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.87 -50.35 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.144 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.63 93.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.34 -36.38 80.01 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.496 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 m -63.74 -44.02 94.73 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -179.523 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -62.03 -42.03 98.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.65 0.262 . . . . 25.0 110.769 179.504 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.67 -50.16 70.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 111.255 178.9 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.61 -39.02 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.433 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.21 -41.89 97.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.593 0.633 . . . . 25.0 111.972 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.7 mmtp -74.14 -33.04 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.798 -0.564 . . . . 25.0 112.095 178.03 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 -33.8 76.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.879 . . . . 25.0 109.342 174.258 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -69.29 -40.86 77.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.368 0.604 . . . . 25.0 109.902 178.662 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 m -84.64 27.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -175.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.56 -16.26 64.09 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.042 0.449 . . . . 25.0 110.083 174.46 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.6 p -125.13 127.52 46.99 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 107.76 -1.2 . . . . 25.0 107.76 177.537 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -85.27 -4.4 59.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.16 0.981 . . . . 25.0 112.63 -177.398 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.1 mt -65.65 135.46 55.05 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.614 -1.176 . . . . 25.0 113.067 -170.439 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -34.36 77.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 173.4 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 110.63 4.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 175.613 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.08 103.91 0.26 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 -172.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -70.34 -31.68 69.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -171.495 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -71.26 -47.25 58.14 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -175.176 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -158.83 155.35 27.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 -173.3 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 57.5 t60 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.304 -1.808 . . . . 25.0 106.75 170.893 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.499 H101 HG21 ' A' ' 106' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.447 0 N-CA-C 115.391 0.916 . . . . 25.0 115.391 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -58.35 -42.04 86.02 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.048 0.924 . . . . 25.0 110.245 178.48 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.24 -34.56 63.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 25.0 109.825 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.61 -39.6 94.77 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.619 -0.676 . . . . 25.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -12.53 61.45 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 174.254 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -99.94 -17.87 17.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.096 0.95 . . . . 25.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -84.23 80.29 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.866 -176.185 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -48.21 -30.28 4.54 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.657 2.095 . . . . 25.0 116.657 -174.101 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.85 -40.41 72.82 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.504 0.669 . . . . 25.0 111.491 174.104 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.95 -38.93 16.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.033 -178.897 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG12 ' HE3' ' A' ' 16' ' ' LYS . 47.5 t -59.2 -42.91 88.37 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-O 119.279 -0.391 . . . . 25.0 110.311 179.429 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.76 -42.65 84.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.934 0.788 . . . . 25.0 112.088 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -40.82 88.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 179.207 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.08 -23.4 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE3' HG12 ' A' ' 12' ' ' VAL . 79.4 mttt -59.88 -28.02 67.19 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 177.825 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -83.93 -50.39 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.59 170.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.1 81.23 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -175.03 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -38.35 77.44 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.121 0.486 . . . . 25.0 109.725 179.527 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.53 -34.44 65.23 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.111 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -66.63 -22.01 66.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -176.725 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -77.19 -19.76 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.72 -0.612 . . . . 25.0 109.564 176.182 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.33 78.96 Favored Glycine 0 C--O 1.238 0.374 0 CA-C-O 121.389 0.439 . . . . 25.0 113.402 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 t -93.48 122.18 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -175.691 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.37 84.34 7.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.288 -174.145 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -105.45 140.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.38 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -68.29 133.42 48.75 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.008 -1.849 . . . . 25.0 106.008 175.283 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -50.88 -50.29 57.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -177.879 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.33 70.71 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.7 -178.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -81.3 -28.42 34.62 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 116.723 -0.217 . . . . 25.0 111.249 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.88 -53.99 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.219 -0.992 . . . . 25.0 108.698 175.336 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.26 -19.95 65.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 179.257 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.33 -39.95 67.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.329 0.585 . . . . 25.0 110.1 172.734 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -82.16 -23.79 35.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.845 -178.237 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.11 -22.74 64.88 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 171.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.02 -37.65 46.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.649 0.738 . . . . 25.0 109.748 178.391 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -65.93 -33.55 76.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.123 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -37.17 84.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.853 -0.529 . . . . 25.0 110.152 179.419 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.9 -49.0 77.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -77.84 -28.91 50.27 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -118.5 84.73 24.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 121.906 -0.496 . . . . 25.0 111.909 -176.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.27 -16.99 39.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-O 121.324 0.468 . . . . 25.0 113.003 -179.39 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -13.06 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 177.221 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.59 -48.74 64.4 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.477 -0.765 . . . . 25.0 112.729 -178.465 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.51 -20.29 31.48 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 113.951 -3.566 . . . . 25.0 114.031 175.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -68.04 -39.7 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.901 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.95 -41.6 95.35 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 175.766 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.45 31.96 71.66 Favored Glycine 0 C--O 1.219 -0.798 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.697 176.08 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -129.24 132.41 47.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.282 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.73 99.37 8.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 123.871 1.795 . . . . 25.0 107.92 177.507 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.51 157.42 43.26 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.31 -2.223 . . . . 25.0 105.819 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.76 -28.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -172.061 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 34.7 mmtp -68.21 -35.37 77.86 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.459 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -64.68 -42.33 95.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 177.222 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -67.16 -29.77 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 26.2 mmt180 -58.72 -42.02 87.73 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 177.531 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -61.94 -30.88 71.21 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.211 -178.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -68.51 -40.1 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.32 0.581 . . . . 25.0 110.109 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.06 78.22 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -179.356 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.62 -37.98 85.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.75 0.786 . . . . 25.0 109.511 177.399 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -43.29 96.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.043 176.751 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -64.62 -34.08 77.44 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.916 -0.49 . . . . 25.0 110.205 178.463 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -64.45 -44.48 90.96 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 -178.785 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.81 -43.92 71.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.694 0.759 . . . . 25.0 111.004 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -63.66 -30.17 71.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -69.92 -46.02 66.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 174.849 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.93 -23.25 65.95 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 m -58.12 -44.02 87.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 -22.67 3.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.943 2.201 . . . . 25.0 116.943 -177.406 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.73 -170.33 16.0 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 -170.687 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.46 -7.42 20.91 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 116.713 1.774 . . . . 25.0 116.713 -174.163 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.56 -25.85 59.56 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 121.631 -0.668 . . . . 25.0 110.945 176.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.44 -48.62 9.44 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.044 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -124.36 130.77 24.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.94 153.51 29.13 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 115.492 -2.538 . . . . 25.0 111.791 177.474 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.06 -20.9 28.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.74 -0.6 . . . . 25.0 110.844 176.555 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -72.2 -18.08 61.88 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.657 -0.652 . . . . 25.0 111.067 177.405 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.07 79.43 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 120.206 -0.598 . . . . 25.0 109.974 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.81 -30.76 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.125 0.488 . . . . 25.0 111.115 178.417 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -70.57 -44.5 67.24 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 177.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.16 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.001 176.327 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -57.79 -39.07 76.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.323 . . . . 25.0 111.041 179.196 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.16 -25.79 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.75 -40.26 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.395 0.617 . . . . 25.0 109.529 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.62 -29.33 18.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.471 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -58.18 -52.67 64.59 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.289 -0.414 . . . . 25.0 109.947 178.042 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.44 -28.97 67.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.519 -0.472 . . . . 25.0 111.33 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -49.91 75.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.294 -0.254 . . . . 25.0 111.212 175.004 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.9 mt -76.42 -38.04 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.197 -177.278 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.09 -28.15 66.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.88 29.14 7.7 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 179.081 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -64.45 -21.8 66.77 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.164 0.507 . . . . 25.0 111.0 177.804 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.3 -41.31 96.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.67 7.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.446 0.641 . . . . 25.0 110.893 -176.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -126.58 84.35 62.74 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 178.625 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -66.99 -22.79 47.59 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 117.263 -1.358 . . . . 25.0 113.787 -177.886 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -69.23 -25.28 64.23 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 176.615 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.1 t -83.64 -44.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 176.151 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.5 ttp -62.34 -28.22 69.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -176.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.6 80.76 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.65 -0.656 . . . . 25.0 110.993 174.002 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 -33.79 58.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.659 -0.496 . . . . 25.0 109.659 178.43 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.89 -51.93 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 179.036 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.2 92.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 25.0 111.422 -178.554 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.02 -37.32 86.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.111 -0.368 . . . . 25.0 111.963 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.59 HG22 HD13 ' A' ' 110' ' ' LEU . 19.1 m -69.17 -36.03 76.93 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.791 -0.568 . . . . 25.0 110.194 -177.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.79 -38.39 81.74 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 122.085 -0.384 . . . . 25.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.51 -49.61 76.88 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.484 1.135 . . . . 25.0 109.11 176.17 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.9 -39.85 84.44 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 CA-C-N 114.145 -1.389 . . . . 25.0 110.848 -173.205 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.59 HD13 HG22 ' A' ' 106' ' ' THR . 3.2 mp -59.74 -38.26 81.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.458 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.98 -30.75 70.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.735 179.902 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.8 t -83.43 -39.25 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 25.0 110.764 177.67 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -63.55 -28.1 69.71 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.615 0.766 . . . . 25.0 111.07 -177.81 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.3 m 54.44 -174.32 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 122.618 1.199 . . . . 25.0 113.656 176.316 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -68.71 -48.37 64.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.445 -0.798 . . . . 25.0 108.883 176.825 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.28 79.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -176.297 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -133.76 44.85 2.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 123.126 1.441 . . . . 25.0 107.244 170.688 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 120' ' ' HIS . 1.7 mp -72.35 158.52 35.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.552 -175.378 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.79 23.42 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.043 173.063 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' H ' ' C ' ' A' ' 118' ' ' LEU . 7.6 m80 65.64 5.6 3.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.986 1.314 . . . . 25.0 113.7 179.402 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.09 142.67 55.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 106.599 -1.63 . . . . 25.0 106.599 175.046 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -154.03 147.32 24.83 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 176.678 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -150.4 169.5 21.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -175.352 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.5 t60 60.72 -170.54 0.15 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.942 0.897 . . . . 25.0 109.794 178.148 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 p80 . . . . . 0 C--O 1.242 0.689 0 N-CA-C 103.924 -2.621 . . . . 25.0 103.924 177.318 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.426 0 N-CA-C 114.203 0.441 . . . . 25.0 114.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.5 -20.92 64.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.616 0.722 . . . . 25.0 109.184 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.79 -52.17 52.99 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.026 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.54 -37.71 87.5 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -13.37 4.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.607 1.336 . . . . 25.0 114.607 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -97.78 -11.44 23.36 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.956 -0.465 . . . . 25.0 112.035 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 92.83 8.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -43.8 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.899 2.185 . . . . 25.0 116.899 -174.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -34.54 78.0 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.39 -0.818 . . . . 25.0 111.634 -176.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -75.44 -36.68 60.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.599 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.03 -38.23 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.022 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.93 -43.03 99.68 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.649 -0.657 . . . . 25.0 111.085 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.04 -37.57 75.62 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.747 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.69 -24.48 65.41 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.667 -0.646 . . . . 25.0 112.487 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -64.34 -34.57 78.45 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.05 -48.86 50.36 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.97 99.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -41.38 97.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.82 -38.98 61.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -64.4 -23.13 67.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -10.05 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.103 -0.373 . . . . 25.0 111.264 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.26 7.36 67.46 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.387 -0.435 . . . . 25.0 114.177 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.1 124.77 39.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.44 84.25 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.853 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -137.36 156.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.55 . . . . 25.0 109.941 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -89.09 162.61 15.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.26 -39.87 80.33 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.867 -0.521 . . . . 25.0 110.377 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.67 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.774 0.321 . . . . 25.0 110.331 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -73.39 -38.52 65.61 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.951 -0.568 . . . . 25.0 109.651 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -73.46 -53.63 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.298 0.57 . . . . 25.0 111.352 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.68 -19.98 65.34 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.134 -0.484 . . . . 25.0 112.079 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -52.31 -36.44 53.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.541 0.686 . . . . 25.0 110.825 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.41 -23.78 32.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.684 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -69.51 -30.18 67.97 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -69.47 -38.62 77.79 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.43 -38.94 92.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.531 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -65.93 -36.53 77.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 C-N-CA 119.805 -0.758 . . . . 25.0 109.875 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -66.08 -39.77 90.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.437 1.017 . . . . 25.0 110.972 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -74.55 -26.01 59.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -96.99 -31.87 12.3 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.291 0.567 . . . . 25.0 112.144 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 80.2 m -123.52 78.18 54.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 C-N-CA 123.113 0.565 . . . . 25.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.47 -14.16 30.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 CA-C-O 121.6 0.584 . . . . 25.0 112.189 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -16.21 44.5 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.239 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.24 -49.12 74.65 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.5 -0.75 . . . . 25.0 111.887 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.49 -18.46 43.46 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 113.314 -3.991 . . . . 25.0 113.634 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -70.15 -33.37 71.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 25.0 110.749 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.2 -27.14 63.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.07 26.24 41.5 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-N 115.978 -0.555 . . . . 25.0 114.108 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 55' ' ' ARG . 90.6 m -128.62 128.43 44.16 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -174.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -121.11 98.62 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 123.531 1.634 . . . . 25.0 109.657 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.19 163.87 31.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.444 -2.428 . . . . 25.0 104.444 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.53 -28.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.96 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.17 -31.09 72.15 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.79 -0.569 . . . . 25.0 110.595 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 50' ' ' THR . 31.1 mmt180 -83.99 -43.97 14.64 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.287 0.565 . . . . 25.0 109.769 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -64.63 -28.47 69.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.13 -41.75 97.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.84 -0.537 . . . . 25.0 110.569 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -58.39 -27.93 64.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.26 -39.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 25.0 109.396 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.97 -34.07 53.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.302 -0.952 . . . . 25.0 110.845 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.65 -39.29 90.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.38 -46.8 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.97 -37.21 78.94 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.425 -0.51 . . . . 25.0 110.192 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -67.66 -42.58 81.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 25.0 110.76 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.37 -49.98 74.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.879 0.847 . . . . 25.0 109.902 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -34.16 76.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.917 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -68.18 -40.65 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.631 -0.259 . . . . 25.0 111.037 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.307 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 m -77.2 -39.52 48.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.47 2.62 11.82 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -174.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.45 171.26 41.15 Favored Glycine 0 C--O 1.248 0.993 0 N-CA-C 117.464 1.746 . . . . 25.0 117.464 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.47 -17.64 38.8 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.775 2.317 . . . . 25.0 115.289 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -76.71 -18.75 58.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.977 -0.452 . . . . 25.0 110.226 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -99.08 -46.5 5.56 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.53 130.93 23.27 Favored Pre-proline 0 C--O 1.221 -0.433 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.29 153.17 12.34 Favored 'Trans proline' 0 CA--C 1.518 -0.298 0 C-N-CA 115.286 -2.676 . . . . 25.0 112.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.27 -21.4 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.897 -0.502 . . . . 25.0 110.85 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -73.57 -17.68 61.16 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.637 -0.665 . . . . 25.0 111.248 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.73 84.4 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -72.05 -31.44 66.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.196 0.522 . . . . 25.0 111.036 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -70.64 -45.99 64.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.27 -43.16 98.73 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.714 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.97 -37.48 76.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.712 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -65.13 -34.4 78.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 25.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.44 -42.09 98.66 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.002 0.43 . . . . 25.0 110.471 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.71 -31.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.782 -0.767 . . . . 25.0 109.134 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.95 -45.19 91.08 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.565 -0.709 . . . . 25.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.61 -31.62 68.65 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.152 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.94 -41.75 95.24 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 111.653 0.242 . . . . 25.0 111.653 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.0 mt -79.39 -40.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.284 -0.566 . . . . 25.0 110.419 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.2 -34.49 73.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 32.96 5.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 25.0 111.767 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -66.34 -21.82 66.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.292 0.567 . . . . 25.0 109.697 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -62.83 -22.18 66.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.93 9.67 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.423 0.63 . . . . 25.0 110.234 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.56 81.95 67.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -66.24 -19.33 56.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.764 -1.024 . . . . 25.0 113.857 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -62.55 -46.51 88.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.9 -29.41 6.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.428 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.336 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -58.65 -41.24 85.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.841 0.746 . . . . 25.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.9 74.66 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.176 -0.61 . . . . 25.0 110.25 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.77 62.99 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.12 -46.03 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.26 88.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.683 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -38.52 83.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.503 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -68.7 -39.71 80.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.565 -0.709 . . . . 25.0 109.536 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.46 -41.06 98.49 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.796 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.89 -45.89 92.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 25.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.39 -38.89 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.92 -40.48 93.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.794 -0.566 . . . . 25.0 111.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mttt . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.705 -178.571 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.405 0 N-CA-C 114.009 0.363 . . . . 25.0 114.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.01 -35.14 79.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.905 0.352 . . . . 25.0 111.836 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -78.37 -33.41 48.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.414 0.626 . . . . 25.0 111.541 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.83 -39.85 95.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.292 -0.413 . . . . 25.0 111.238 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -12.59 32.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.36 -10.63 22.04 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.204 0.526 . . . . 25.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -90.52 89.23 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.07 -38.16 56.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -62.88 -31.11 72.09 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.339 -0.851 . . . . 25.0 112.486 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -78.79 -38.26 38.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.76 -37.83 61.87 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.462 -0.569 . . . . 25.0 109.462 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.55 -45.78 92.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.34 -41.28 73.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 25.0 110.169 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.26 -24.72 65.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.01 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -56.44 -44.22 80.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -75.5 -41.34 55.59 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.966 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.13 99.47 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.784 -0.573 . . . . 25.0 112.148 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.97 -42.43 94.1 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -74.99 -39.5 61.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -67.05 -26.46 66.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 117.785 0.266 . . . . 25.0 111.583 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.993 -0.283 . . . . 25.0 110.547 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 3.18 81.27 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-O 121.319 0.4 . . . . 25.0 113.21 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.48 125.84 41.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.384 -1.709 . . . . 25.0 106.384 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -83.23 84.4 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.0 0.429 . . . . 25.0 110.082 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.62 158.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -102.81 170.21 8.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 25.0 109.62 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.44 -37.6 78.54 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 110.188 -0.301 . . . . 25.0 110.188 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.57 84.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.41 . . . . 25.0 110.414 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -74.11 -43.2 58.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.872 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.99 -54.93 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.15 -20.01 65.0 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.49 -42.6 78.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.011 0.434 . . . . 25.0 110.238 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -77.07 -23.8 51.94 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.222 -0.299 . . . . 25.0 111.533 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.94 -21.87 63.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.92 -21.22 29.74 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.394 -0.816 . . . . 25.0 110.48 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -73.2 -38.34 66.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.31 -0.244 . . . . 25.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -35.11 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.135 -0.353 . . . . 25.0 110.533 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -48.08 28.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 -177.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -71.31 -33.38 69.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.404 0.621 . . . . 25.0 111.703 -176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 65.1 m -121.9 78.76 40.89 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.749 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.42 -17.13 39.28 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.427 0.511 . . . . 25.0 112.603 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -19.56 46.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.516 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -64.74 -51.56 57.14 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.611 -0.681 . . . . 25.0 111.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.92 -17.49 32.25 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 113.803 -3.664 . . . . 25.0 113.745 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.76 -39.38 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.494 0.187 . . . . 25.0 110.923 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 -28.11 62.26 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.6 17.34 48.31 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.7 m -114.18 136.01 53.41 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.6 mt -128.27 103.99 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.795 1.283 . . . . 25.0 110.849 -172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -147.9 162.25 39.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 104.167 -2.531 . . . . 25.0 104.167 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.53 -29.58 47.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.779 0.323 . . . . 25.0 110.643 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -62.13 -36.54 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 25.0 110.461 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -85.51 -38.51 18.47 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.366 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -62.44 -29.1 70.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -59.3 -41.82 89.89 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 122.175 -0.328 . . . . 25.0 111.799 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -59.8 -25.33 64.86 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.67 -40.29 79.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.526 0.679 . . . . 25.0 109.582 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.99 -36.66 64.62 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.062 -1.215 . . . . 25.0 110.062 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.12 -41.72 98.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -42.06 99.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 25.0 112.011 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.76 -38.31 90.55 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.22 -42.57 88.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.679 -0.237 . . . . 25.0 110.636 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.96 -46.5 89.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.362 0.601 . . . . 25.0 110.116 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.4 -39.23 91.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.323 0.583 . . . . 25.0 110.268 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -66.0 -38.08 87.56 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 112.221 0.452 . . . . 25.0 112.221 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -30.8 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.62 -0.832 . . . . 25.0 109.807 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.6 m -69.93 -43.09 72.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.497 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.78 6.39 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 117.549 2.426 . . . . 25.0 117.549 -170.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.48 -178.61 47.45 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 174.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.44 -12.64 27.39 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.396 2.064 . . . . 25.0 114.386 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -72.71 -30.14 63.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.225 0.536 . . . . 25.0 109.902 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -97.99 -37.84 9.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.46 130.99 24.55 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.8 Cg_endo -80.21 147.92 18.71 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 114.783 -3.011 . . . . 25.0 113.583 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.17 -21.39 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 121.835 -0.541 . . . . 25.0 111.443 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HB2' ' A' ' 76' ' ' PRO . 7.2 t -70.36 -21.06 62.93 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.592 -0.693 . . . . 25.0 111.222 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.42 82.81 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.318 -0.553 . . . . 25.0 110.48 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -72.94 -30.68 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.312 0.577 . . . . 25.0 110.873 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 t -70.23 -45.3 66.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.2 -44.6 94.89 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.497 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -56.91 -40.63 76.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.057 0.456 . . . . 25.0 111.645 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -66.22 -33.38 75.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.799 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -63.89 -47.29 81.22 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.76 -31.32 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.219 -0.926 . . . . 25.0 109.266 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.57 -42.65 88.49 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.815 -0.553 . . . . 25.0 110.606 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -27.85 60.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.878 0.763 . . . . 25.0 110.651 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.35 -45.93 85.68 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.56 -41.3 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.106 0.479 . . . . 25.0 111.108 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -115.6 29.61 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.154 0.428 . . . . 25.0 112.154 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -62.27 -25.36 67.8 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.201 0.524 . . . . 25.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -49.05 77.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.196 0.998 . . . . 25.0 113.225 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.06 6.73 6.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.413 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.93 85.79 50.51 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -66.9 -23.71 47.06 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 117.66 -1.094 . . . . 25.0 114.493 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -66.92 -28.2 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.8 -49.06 16.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 CA-C-N 115.983 -0.553 . . . . 25.0 109.968 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -39.74 75.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.97 79.44 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 120.452 -0.499 . . . . 25.0 110.404 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.1 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.679 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.18 -49.55 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.39 94.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.815 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.77 -39.77 90.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.749 0.309 . . . . 25.0 111.415 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -68.85 -38.9 80.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.052 -0.659 . . . . 25.0 109.235 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.45 -42.05 95.35 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.342 -0.543 . . . . 25.0 111.119 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -59.04 -47.31 85.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.375 0.607 . . . . 25.0 110.353 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -38.49 82.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.568 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.11 -39.78 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.224 -0.298 . . . . 25.0 111.501 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.979 0.419 . . . . 25.0 110.176 178.248 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 N-CA-C 111.706 -0.558 . . . . 25.0 111.706 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.998 0.399 . . . . 25.0 110.991 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.44 -24.14 53.93 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.231 -0.587 . . . . 25.0 110.826 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.47 -0.769 . . . . 25.0 111.065 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -10.31 47.05 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -107.15 -15.82 14.57 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.507 0.67 . . . . 25.0 109.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -82.13 86.18 6.66 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 105.673 -1.973 . . . . 25.0 105.673 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.73 -35.02 55.18 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 114.969 1.47 . . . . 25.0 114.969 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.29 -37.48 83.37 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.531 0.605 . . . . 25.0 112.017 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -75.64 -36.48 60.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.587 -0.696 . . . . 25.0 109.269 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.8 t -59.04 -40.53 80.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.9 -45.58 89.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.263 0.483 . . . . 25.0 112.066 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.26 -39.78 95.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.362 -0.535 . . . . 25.0 109.579 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.01 -23.55 64.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -58.15 -40.56 81.71 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.87 -39.25 20.12 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.617 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.99 83.79 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.41 -40.8 96.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.826 -1.175 . . . . 25.0 107.826 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.51 -45.05 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 25.0 113.013 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 p -69.22 -20.12 63.96 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.328 -0.232 . . . . 25.0 111.363 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -23.44 61.28 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 10.03 79.46 Favored Glycine 0 CA--C 1.516 0.105 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.363 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.48 122.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.13 84.62 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.38 141.62 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -75.26 145.08 42.18 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -52.08 64.67 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 25.0 111.297 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -84.68 -34.71 22.93 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 122.202 -0.311 . . . . 25.0 111.085 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.01 -51.8 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.449 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.01 -19.82 47.22 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -53.57 -45.16 69.81 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.478 0.656 . . . . 25.0 109.616 171.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -75.53 -23.94 56.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.434 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.43 -23.85 62.8 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.99 -27.34 26.53 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.595 -0.691 . . . . 25.0 110.438 174.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -67.47 -33.85 75.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -30.64 49.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.607 -0.683 . . . . 25.0 109.912 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -60.12 -38.2 82.29 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.154 -0.341 . . . . 25.0 111.598 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -64.01 -51.74 62.81 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.358 0.599 . . . . 25.0 111.321 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -81.88 -26.46 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.41 74.11 80.0 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 112.395 0.516 . . . . 25.0 112.395 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.22 -12.47 30.07 Favored 'Trans proline' 0 C--N 1.345 0.347 0 CA-C-O 121.919 0.716 . . . . 25.0 111.881 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -11.27 53.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.401 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.82 -50.33 64.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 O-C-N 121.728 -0.608 . . . . 25.0 111.723 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.46 -22.61 44.89 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 113.626 -3.783 . . . . 25.0 113.993 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.246 -0.283 . . . . 25.0 111.606 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -65.94 -29.92 70.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 25.0 110.668 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.99 29.11 73.31 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -146.66 139.66 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -125.06 112.3 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.474 1.13 . . . . 25.0 110.178 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.59 161.28 42.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.18 -31.8 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.804 -0.18 . . . . 25.0 111.196 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -67.42 -31.44 71.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.979 -0.45 . . . . 25.0 110.701 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -80.42 -36.66 33.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -62.68 -25.76 68.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -52.8 -47.24 67.74 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.42 -30.23 62.55 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -39.32 81.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.358 0.599 . . . . 25.0 109.816 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.06 -35.7 53.11 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.448 -1.061 . . . . 25.0 110.448 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.95 -39.82 95.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -45.73 88.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.522 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.25 -33.27 74.28 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.615 -0.434 . . . . 25.0 109.996 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.97 -41.82 90.67 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.141 -0.224 . . . . 25.0 110.74 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.53 -33.29 60.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.677 0.751 . . . . 25.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.55 91.71 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -69.44 -38.85 78.01 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.851 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.953 -0.467 . . . . 25.0 110.754 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -71.75 -42.14 67.58 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.34 3.32 9.74 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.961 1.838 . . . . 25.0 115.961 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.43 -176.9 54.05 Favored Glycine 0 C--O 1.242 0.638 0 N-CA-C 115.428 0.931 . . . . 25.0 115.428 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.28 -9.38 24.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.744 2.296 . . . . 25.0 115.306 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -78.7 -32.07 46.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 25.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -88.18 -40.51 13.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.66 -0.245 . . . . 25.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.51 130.95 24.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.33 154.46 18.75 Favored 'Trans proline' 0 CA--C 1.519 -0.245 0 C-N-CA 115.571 -2.486 . . . . 25.0 112.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.08 -20.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.788 -0.57 . . . . 25.0 110.335 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -74.08 -17.28 60.98 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 121.724 -0.61 . . . . 25.0 111.151 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.13 81.66 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -71.28 -31.46 67.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.088 0.471 . . . . 25.0 111.387 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -71.84 -45.57 60.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -63.03 -42.03 99.68 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.563 -0.744 . . . . 25.0 109.542 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.8 -39.95 90.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.834 0.35 . . . . 25.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.37 -28.38 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 25.0 111.604 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.8 -46.01 83.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.5 -30.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.51 -48.04 83.19 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.739 -0.601 . . . . 25.0 110.149 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.41 -22.46 61.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.908 0.776 . . . . 25.0 110.771 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.5 tp -75.75 -42.59 50.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.039 0.535 . . . . 25.0 111.293 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.9 -37.77 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.61 -31.32 66.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.259 0.552 . . . . 25.0 111.622 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -108.29 21.21 17.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.55 -23.0 66.75 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.16 -31.61 72.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -110.4 9.41 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.716 0.769 . . . . 25.0 109.955 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -124.96 80.43 63.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.58 -17.35 56.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 117.075 -1.483 . . . . 25.0 113.308 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.23 -43.11 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.78 -28.47 6.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 C-N-CA 119.883 -0.727 . . . . 25.0 111.364 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -36.95 81.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.427 -0.796 . . . . 25.0 110.53 -177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.68 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.145 0.498 . . . . 25.0 110.757 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.12 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.38 -49.66 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.51 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.465 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -39.45 93.56 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.618 -0.433 . . . . 25.0 111.821 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 m -69.98 -36.27 75.05 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.383 -0.927 . . . . 25.0 108.715 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -59.58 -38.53 81.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.147 0.431 . . . . 25.0 111.594 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.89 -44.2 97.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.918 0.866 . . . . 25.0 109.493 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.31 -31.72 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.65 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.56 -37.5 87.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.651 -0.656 . . . . 25.0 110.293 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 120.743 -0.383 . . . . 25.0 110.508 178.669 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.431 0 N-CA-C 110.358 -1.097 . . . . 25.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -65.95 -35.98 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.51 -44.44 90.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.381 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -64.89 -40.75 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.242 -0.286 . . . . 25.0 111.261 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -61.17 -20.08 62.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -99.68 -14.95 18.7 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.365 0.603 . . . . 25.0 110.794 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -84.74 90.63 7.77 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.82 -35.39 32.05 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 114.798 1.407 . . . . 25.0 114.798 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.85 -30.99 71.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.035 0.834 . . . . 25.0 113.019 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -70.56 -43.21 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.11 -35.47 68.92 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-N 114.93 -1.032 . . . . 25.0 110.025 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -54.69 -49.59 70.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.225 0.92 . . . . 25.0 111.603 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -68.45 -39.73 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.202 0.525 . . . . 25.0 110.449 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -23.82 64.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -62.01 -44.41 96.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -74.97 -35.04 62.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.595 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.12 79.39 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.37 -42.21 99.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.48 -48.44 75.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.57 -20.24 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.155 -0.341 . . . . 25.0 111.795 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -75.92 -22.74 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 16.73 79.03 Favored Glycine 0 N--CA 1.455 -0.083 0 N-CA-C 111.844 -0.502 . . . . 25.0 111.844 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.16 115.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.153 0.978 . . . . 25.0 109.302 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -81.69 84.28 6.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 25.0 108.994 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.12 150.05 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.73 142.45 46.32 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -48.06 79.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.35 71.12 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.801 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -74.35 -41.24 61.38 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -51.37 62.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.364 -0.934 . . . . 25.0 109.829 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.98 -19.99 64.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -63.9 -32.08 73.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.372 -0.83 . . . . 25.0 110.255 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -78.03 -23.82 48.04 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.326 -0.859 . . . . 25.0 111.037 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.01 -21.91 62.23 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 171.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.91 -34.95 22.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.523 0.677 . . . . 25.0 110.874 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.15 -34.05 75.66 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -33.34 56.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 O-C-N 122.192 -0.317 . . . . 25.0 110.695 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -61.01 -34.32 74.64 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.77 -51.15 20.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.952 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -64.58 -38.47 91.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.873 0.844 . . . . 25.0 110.827 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.71 80.95 40.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.077 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -69.75 -14.3 35.91 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 CA-C-O 121.728 0.637 . . . . 25.0 112.216 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.57 -15.39 37.54 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.78 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.89 -47.03 75.31 Favored Pre-proline 0 N--CA 1.471 0.598 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.18 -24.31 44.48 Favored 'Trans proline' 0 C--N 1.355 0.894 1 C-N-CA 112.807 -4.328 . . . . 25.0 113.369 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -15.53 62.34 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.24 -24.57 64.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.61 17.6 20.72 Favored Glycine 0 C--O 1.223 -0.557 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.3 m -139.81 139.0 36.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -111.7 115.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.491 1.139 . . . . 25.0 108.931 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -152.16 156.72 40.37 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 tp -66.3 -29.61 47.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.589 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -66.03 -36.38 83.11 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.672 -0.642 . . . . 25.0 109.38 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -78.37 -37.31 44.49 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.434 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -66.59 -29.49 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 25.0 111.925 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.76 -40.06 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.805 -0.559 . . . . 25.0 110.855 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -54.96 -32.81 61.79 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.06 -39.05 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.301 0.572 . . . . 25.0 109.993 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.9 -37.95 75.05 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -62.18 -40.16 95.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -41.0 94.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.376 -0.829 . . . . 25.0 112.363 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.65 -36.06 82.59 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.69 -43.15 94.45 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.6 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.865 0.84 . . . . 25.0 111.104 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -36.74 84.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.24 -0.891 . . . . 25.0 109.53 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.62 -41.71 71.88 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.869 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.42 -33.78 75.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.897 -0.502 . . . . 25.0 110.775 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.3 m -76.58 -40.74 48.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.35 2.41 10.8 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.918 1.822 . . . . 25.0 115.918 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.7 -176.23 53.86 Favored Glycine 0 C--O 1.244 0.74 0 N-CA-C 114.948 0.739 . . . . 25.0 114.948 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.86 -13.0 31.6 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.388 1.392 . . . . 25.0 113.697 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.277 0.561 . . . . 25.0 110.416 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -101.34 -35.23 9.3 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.013 0.745 . . . . 25.0 113.013 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.15 130.81 23.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -81.39 154.33 18.57 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.648 -2.435 . . . . 25.0 111.539 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.02 -20.46 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.608 -0.682 . . . . 25.0 110.784 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -73.71 -19.34 60.84 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.662 -0.649 . . . . 25.0 111.213 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.89 80.97 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.707 -0.62 . . . . 25.0 109.802 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.55 -30.73 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.559 . . . . 25.0 110.868 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -73.76 -45.16 53.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.12 -45.83 91.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.257 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.84 -40.46 80.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.822 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -63.63 -30.86 71.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.213 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.09 -43.3 82.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.373 0.606 . . . . 25.0 109.411 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.73 -29.99 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.704 -0.623 . . . . 25.0 109.664 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -58.92 -47.01 86.57 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.93 -27.87 62.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.96 -0.696 . . . . 25.0 110.982 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.03 -40.95 97.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.96 -0.462 . . . . 25.0 111.196 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.74 -40.72 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.538 -0.465 . . . . 25.0 109.844 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.75 -31.25 70.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.949 0.404 . . . . 25.0 110.693 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -116.09 31.94 6.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.73 -18.91 65.66 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.538 0.685 . . . . 25.0 109.811 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.79 -31.74 71.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.026 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.6 8.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.547 0.689 . . . . 25.0 110.225 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -125.93 82.83 63.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.83 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.49 -18.69 38.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.623 -1.118 . . . . 25.0 113.81 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -64.37 -44.75 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.86 -25.32 6.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.986 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -35.81 78.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.638 -0.664 . . . . 25.0 110.37 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.54 74.13 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 122.044 -0.41 . . . . 25.0 110.887 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.74 -31.66 52.25 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.058 -0.401 . . . . 25.0 109.994 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -47.3 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.32 83.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 25.0 110.94 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.67 -36.68 83.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 25.0 111.968 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -60.51 -45.0 95.42 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -58.75 -46.33 87.68 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -65.56 -36.73 84.64 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.838 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.9 mt -69.37 -37.71 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.18 -39.03 92.34 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.032 -0.417 . . . . 25.0 111.17 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 mttt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.944 0.402 . . . . 25.0 110.677 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.163 0 N-CA-C 111.99 -0.444 . . . . 25.0 111.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -62.2 -35.55 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.453 0.168 . . . . 25.0 111.453 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -32.8 21.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.106 -0.371 . . . . 25.0 110.239 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.86 -38.45 90.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.762 -0.586 . . . . 25.0 110.654 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -58.53 -18.69 31.45 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.433 1.642 . . . . 25.0 115.433 173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.28 3.1 12.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.478 0.581 . . . . 25.0 110.939 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.2 76.73 9.85 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 104.077 -2.564 . . . . 25.0 104.077 171.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.74 -28.92 6.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -168.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -71.03 -34.07 70.92 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.543 -0.723 . . . . 25.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -73.14 -39.33 65.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.75 -37.07 63.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.25 -47.28 84.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -70.69 -30.29 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.525 -0.735 . . . . 25.0 110.221 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.22 -23.5 62.94 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.089 -0.382 . . . . 25.0 111.556 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.63 -40.49 97.01 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.52 -46.8 68.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.87 97.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.387 0.884 . . . . 25.0 113.387 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.14 -40.09 96.56 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -67.99 -44.69 76.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -69.08 -20.86 64.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.657 0.984 . . . . 25.0 113.657 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.7 tpt85 -75.08 -17.73 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.215 -0.594 . . . . 25.0 109.402 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.49 8.51 86.94 Favored Glycine 0 C--O 1.227 -0.297 0 CA-C-N 116.272 -0.422 . . . . 25.0 113.059 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -111.51 119.65 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -80.71 84.77 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.412 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -101.17 141.34 17.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.8 137.04 55.07 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -47.04 74.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.6 75.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.022 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.41 -36.76 71.45 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.344 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -53.03 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.515 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.82 -20.65 63.87 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -60.81 -35.65 77.04 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.707 -0.621 . . . . 25.0 109.977 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -76.81 -23.9 52.81 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.526 -0.734 . . . . 25.0 111.294 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.54 -20.34 62.04 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.79 -36.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -66.9 -34.31 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -38.17 80.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -39.93 87.12 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.882 -0.511 . . . . 25.0 110.922 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.06 -42.55 99.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.237 0.541 . . . . 25.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 m -79.41 -35.04 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.402 0.62 . . . . 25.0 111.523 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HG ' ' CB ' ' A' ' 62' ' ' CYS . 6.6 m -120.88 85.94 40.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 122.946 0.498 . . . . 25.0 111.097 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -70.28 -15.37 35.11 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 117.813 -0.991 . . . . 25.0 113.015 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.17 -14.16 44.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.377 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.77 -48.36 52.84 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.121 -0.987 . . . . 25.0 112.018 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.71 -22.69 31.97 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 114.245 -3.37 . . . . 25.0 113.343 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.13 -33.94 76.91 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.895 0.478 . . . . 25.0 111.342 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.04 -29.72 70.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 25.0 110.705 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.97 16.96 42.21 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.427 -0.351 . . . . 25.0 113.788 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -128.82 132.06 47.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -173.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.65 110.53 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 CA-C-O 122.857 1.313 . . . . 25.0 107.521 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.23 159.39 44.41 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.049 -1.432 . . . . 25.0 108.882 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.79 -32.37 56.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.789 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 48.1 mtmt -68.67 -36.89 79.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.868 -0.52 . . . . 25.0 109.684 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -73.44 -33.22 64.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -65.72 -29.96 70.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.345 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 23.4 mmt180 -58.44 -43.7 88.86 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -65.69 -24.97 67.12 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.79 -37.02 78.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.037 -1.098 . . . . 25.0 108.037 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -37.25 67.33 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.137 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.31 -43.83 92.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -61.99 -45.72 92.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.311 -0.859 . . . . 25.0 112.245 -179.155 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.56 -38.11 89.89 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.927 -0.709 . . . . 25.0 109.499 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.9 -47.71 76.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.886 0.374 . . . . 25.0 110.332 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.79 -41.02 88.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.92 0.391 . . . . 25.0 110.283 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.14 -38.4 88.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.221 -0.299 . . . . 25.0 110.67 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -69.51 -32.64 71.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 25.0 110.795 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -78.88 -41.02 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.5 1.77 11.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.55 177.2 46.29 Favored Glycine 0 C--O 1.242 0.641 0 N-CA-C 116.248 1.259 . . . . 25.0 116.248 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.73 -11.03 25.69 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.725 2.283 . . . . 25.0 114.46 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.53 -34.08 54.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.936 0.398 . . . . 25.0 110.177 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.99 -41.62 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.276 . . . . 25.0 111.035 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.0 t -114.82 130.85 23.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.73 153.38 15.19 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 115.485 -2.543 . . . . 25.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.33 -20.23 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.301 0.572 . . . . 25.0 110.332 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -73.4 -16.79 61.32 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 121.721 -0.612 . . . . 25.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.98 83.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.65 -32.41 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 25.0 111.158 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -70.09 -45.51 66.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.69 -40.85 97.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.336 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -58.91 -41.54 87.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 25.0 110.749 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -65.22 -28.68 69.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.814 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tt -65.35 -42.2 93.06 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 120.707 0.289 . . . . 25.0 110.264 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.55 -30.1 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 121.539 -0.725 . . . . 25.0 109.137 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -55.77 -50.79 69.47 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.82 -26.89 65.41 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.844 -0.342 . . . . 25.0 111.193 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.29 -36.68 69.02 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.622 -0.228 . . . . 25.0 111.35 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.15 -40.42 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.98 -37.07 73.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.075 0.464 . . . . 25.0 110.266 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -115.54 34.99 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 25.0 112.072 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -65.07 -21.26 66.79 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.037 0.446 . . . . 25.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.26 -34.67 76.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.67 6.85 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.61 0.719 . . . . 25.0 109.944 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -125.87 77.95 70.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.47 -21.62 53.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.229 -1.38 . . . . 25.0 114.26 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.91 -37.6 84.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.099 -0.376 . . . . 25.0 110.376 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.9 -27.83 6.65 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 119.858 -0.737 . . . . 25.0 110.094 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.13 -38.13 85.27 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.33 71.43 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.657 -0.652 . . . . 25.0 110.851 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.41 53.07 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 122.082 -0.386 . . . . 25.0 110.092 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.05 -53.1 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.68 98.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.078 0.466 . . . . 25.0 111.63 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.22 -45.56 91.07 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.89 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.7 m -59.35 -40.82 87.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.052 -0.351 . . . . 25.0 110.052 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.15 -53.35 59.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.23 -29.48 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.25 -42.29 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.63 -37.76 87.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.113 0.482 . . . . 25.0 110.1 179.215 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.486 0 N-CA-C 111.35 -0.7 . . . . 25.0 111.35 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.74 -37.61 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -82.58 -22.45 34.85 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.06 -0.656 . . . . 25.0 110.817 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.42 -35.64 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -19.11 65.72 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.61 -17.08 20.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.48 0.657 . . . . 25.0 110.824 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -82.41 85.39 6.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.3 -30.96 19.79 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 116.76 2.133 . . . . 25.0 116.76 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.49 -28.77 59.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.623 -0.673 . . . . 25.0 111.685 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -75.15 -42.51 55.91 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.34 -36.14 57.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.476 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.03 -49.01 74.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.771 -0.581 . . . . 25.0 112.221 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.72 -37.94 67.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 25.0 110.847 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.37 -24.96 66.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -58.37 -44.13 88.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.94 -38.92 57.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.918 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.73 90.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.34 -42.89 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.096 0.474 . . . . 25.0 110.281 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.37 -45.42 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -70.88 -14.08 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.768 0.318 . . . . 25.0 111.536 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.57 -21.25 61.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 25.0 110.337 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.23 12.47 84.3 Favored Glycine 0 C--O 1.227 -0.294 0 CA-C-N 116.341 -0.39 . . . . 25.0 113.083 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.0 123.02 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -83.11 84.35 7.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 25.0 111.732 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 m -120.25 147.03 24.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -85.45 158.82 20.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -41.26 76.88 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.722 -0.217 . . . . 25.0 111.115 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.76 74.77 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.54 -45.09 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 25.0 109.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.48 -50.52 67.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 25.0 110.463 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -20.01 64.5 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -63.19 -34.7 78.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.656 -0.653 . . . . 25.0 110.074 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.74 -23.25 39.56 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.899 -0.5 . . . . 25.0 111.567 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.69 -18.5 62.16 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.35 -36.17 22.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.661 0.743 . . . . 25.0 109.064 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.32 -34.46 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 C-N-CA 120.094 -0.642 . . . . 25.0 109.903 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -64.24 -38.82 92.39 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.822 -0.548 . . . . 25.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 -51.42 64.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.754 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -78.41 -27.53 46.68 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 m -121.33 80.07 36.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.04 -17.26 40.92 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 118.209 -0.728 . . . . 25.0 112.899 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -13.01 59.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -67.41 -50.47 37.8 Favored Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.197 -0.94 . . . . 25.0 112.43 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.92 -21.31 37.69 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 113.897 -3.602 . . . . 25.0 113.289 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.21 -33.71 76.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.379 0.272 . . . . 25.0 111.188 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.57 -24.63 62.81 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.183 -0.323 . . . . 25.0 110.849 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 22.04 49.8 Favored Glycine 0 C--O 1.224 -0.488 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.479 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 17.1 m -133.13 133.47 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.635 0.718 . . . . 25.0 111.065 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.76 103.5 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-O 123.31 1.529 . . . . 25.0 109.474 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -153.09 162.72 40.98 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.308 -1.769 . . . . 25.0 108.765 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -64.4 -28.03 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.434 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -62.54 -33.5 75.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.689 -0.632 . . . . 25.0 111.17 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 3.6 mpt_? -85.29 -42.59 14.48 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.643 -0.502 . . . . 25.0 109.643 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -63.56 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -59.86 -45.81 91.29 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.965 -0.459 . . . . 25.0 110.394 176.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -61.89 -25.63 67.67 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.05 -41.8 87.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.453 0.644 . . . . 25.0 109.274 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.62 -35.13 55.84 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.311 -0.947 . . . . 25.0 110.936 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.27 -38.11 89.87 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.36 -43.92 96.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 111.615 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -63.17 -38.07 89.73 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -67.6 -41.1 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.175 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.09 -47.06 86.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.414 0.626 . . . . 25.0 109.812 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.89 -35.58 80.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.107 0.479 . . . . 25.0 111.035 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -68.19 -40.73 82.14 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -31.62 70.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.174 -0.954 . . . . 25.0 110.492 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -63.95 -44.27 93.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -127.32 5.04 6.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.365 1.987 . . . . 25.0 116.365 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.9 -166.27 50.16 Favored Glycine 0 C--O 1.242 0.656 0 O-C-N 121.421 -0.799 . . . . 25.0 113.41 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.09 -5.65 17.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.806 1.67 . . . . 25.0 113.951 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -74.32 -16.91 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.982 0.42 . . . . 25.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.31 -41.26 7.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.28 130.91 23.11 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.52 144.63 50.53 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.015 -2.857 . . . . 25.0 111.936 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.99 -21.58 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 121.991 -0.443 . . . . 25.0 111.677 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -74.37 -19.85 60.29 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.602 -0.686 . . . . 25.0 111.351 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.29 78.87 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.729 -0.607 . . . . 25.0 109.874 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -71.14 -29.77 65.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.106 0.479 . . . . 25.0 111.537 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -73.02 -44.76 60.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.33 -44.58 96.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.227 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.62 -40.65 88.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.32 -27.93 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 110.182 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.86 -30.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.221 0.534 . . . . 25.0 109.807 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -52.88 -52.02 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.197 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.95 -28.46 65.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.528 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.04 -40.96 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.963 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.3 -40.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.64 -35.05 73.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -114.54 38.09 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -59.34 -25.61 64.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.215 0.531 . . . . 25.0 110.208 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.49 -29.87 69.34 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.9 m -119.59 11.1 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.56 0.695 . . . . 25.0 110.172 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -122.84 77.77 49.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.36 -19.8 49.29 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 117.053 -1.498 . . . . 25.0 113.361 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.47 -42.65 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.01 -25.06 6.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.62 -38.9 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.994 -0.441 . . . . 25.0 110.511 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.27 72.39 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.478 -0.764 . . . . 25.0 110.981 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.75 -30.73 59.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.513 -0.312 . . . . 25.0 110.334 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.42 -50.01 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.65 88.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.995 0.426 . . . . 25.0 111.269 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.32 -39.63 95.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.357 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -65.89 -42.98 89.57 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -57.02 -44.44 82.87 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.798 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.89 -38.99 93.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.466 0.651 . . . . 25.0 111.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.24 -37.5 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.05 -40.64 96.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.923 -0.486 . . . . 25.0 110.654 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp . . . . . 0 N--CA 1.475 0.78 0 CA-C-N 118.57 0.623 . . . . 25.0 109.845 179.492 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.188 0 N-CA-C 111.281 -0.728 . . . . 25.0 111.281 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -69.37 -32.87 72.19 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.218 -0.577 . . . . 25.0 111.735 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.76 -26.64 25.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.491 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.49 -39.01 93.31 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.8 -0.563 . . . . 25.0 110.009 174.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -59.02 -19.33 42.76 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.64 -13.92 23.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.822 0.283 . . . . 25.0 111.431 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -87.32 93.95 9.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.18 -30.96 62.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -69.25 -37.66 78.05 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.802 -0.561 . . . . 25.0 111.591 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -69.78 -42.78 73.34 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -57.31 -34.99 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.932 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -54.67 -49.91 69.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.746 1.157 . . . . 25.0 112.687 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 101' ' ' ALA . 14.6 mm100 -71.22 -37.06 72.07 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.363 -0.535 . . . . 25.0 109.904 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.53 -28.72 69.84 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -54.64 -45.29 73.75 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.94 -38.91 20.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.735 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.15 80.49 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -38.3 82.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.337 0.589 . . . . 25.0 109.815 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -73.68 -28.94 62.01 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -63.19 -22.61 66.98 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.349 0.522 . . . . 25.0 112.151 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -16.75 34.27 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.24 -1.3 50.2 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.609 -0.329 . . . . 25.0 113.357 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.2 t -80.27 118.58 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -83.55 84.3 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.575 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.12 154.57 37.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.897 -1.89 . . . . 25.0 105.897 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -87.45 164.18 16.32 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.33 -39.51 83.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.74 67.62 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.528 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -86.03 -45.87 11.04 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.252 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -50.83 28.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.97 -24.82 67.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.214 -0.594 . . . . 25.0 112.072 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.35 -39.26 89.94 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.921 -0.487 . . . . 25.0 110.773 173.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.05 -23.85 43.99 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.721 -0.612 . . . . 25.0 111.933 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -66.3 -34.11 77.26 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -35.87 80.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.204 0.525 . . . . 25.0 109.902 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -28.42 36.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 119.664 -0.814 . . . . 25.0 109.657 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -69.72 -38.15 76.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.07 -49.57 64.66 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.197 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -70.11 -34.03 72.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.393 0.616 . . . . 25.0 112.235 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.18 79.62 72.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.693 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.66 -18.07 42.59 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.482 -0.545 . . . . 25.0 112.961 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -15.31 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.619 0.6 . . . . 25.0 112.619 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.92 -51.16 15.42 Favored Pre-proline 0 CA--C 1.541 0.616 0 O-C-N 121.476 -0.765 . . . . 25.0 112.436 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -69.62 -20.81 35.03 Favored 'Trans proline' 0 C--N 1.356 0.957 1 C-N-CA 113.091 -4.139 . . . . 25.0 112.954 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.42 -38.42 89.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.209 0.204 . . . . 25.0 111.359 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' HE ' ' A' ' 55' ' ' ARG . 20.5 pt-20 -86.58 -26.02 24.68 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.831 -0.543 . . . . 25.0 110.366 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.42 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 55.5 29.75 54.29 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.64 1.416 . . . . 25.0 116.64 172.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -121.11 130.9 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.79 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 123.969 1.842 . . . . 25.0 109.805 -172.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -98.55 151.84 20.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.06 -29.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -67.55 -34.06 76.29 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.235 -0.291 . . . . 25.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 48' ' ' GLU . 21.2 mtt85 -77.76 -35.27 51.88 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -61.65 -28.36 69.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.469 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -57.3 -45.32 84.26 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -63.47 -26.75 68.87 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.61 -38.42 80.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.88 56.85 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.454 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.75 -39.4 91.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.55 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.682 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.8 -37.6 84.99 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.191 -0.604 . . . . 25.0 109.428 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -67.93 -42.54 80.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.643 0.238 . . . . 25.0 111.643 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.13 -48.99 79.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.071 0.938 . . . . 25.0 109.316 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.51 97.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.491 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.85 -44.18 77.77 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.348 0.87 . . . . 25.0 113.348 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.11 70.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.707 -0.621 . . . . 25.0 112.086 -172.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.7 m -66.13 -42.25 89.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -127.27 2.17 6.38 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.437 2.014 . . . . 25.0 116.437 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 -165.63 53.2 Favored Glycine 0 C--O 1.244 0.72 0 C-N-CA 120.585 -0.817 . . . . 25.0 114.853 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.63 -11.49 29.79 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 121.899 1.733 . . . . 25.0 115.473 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -75.89 -22.84 55.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 25.0 111.099 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -99.61 -42.33 6.94 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.81 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -76.11 150.07 33.08 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 114.45 -3.233 . . . . 25.0 112.763 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.35 -20.54 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.274 0.559 . . . . 25.0 110.795 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -74.34 -17.74 60.79 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.704 -0.623 . . . . 25.0 111.18 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.98 78.12 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 120.316 -0.554 . . . . 25.0 109.531 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -70.62 -30.8 67.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.509 . . . . 25.0 111.413 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -73.46 -43.42 60.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.18 -43.81 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.218 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -59.59 -39.11 83.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.556 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.17 -26.15 67.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.889 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.94 -45.88 76.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.42 -30.28 22.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.313 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -53.96 -52.38 60.88 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -71.57 -25.64 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.789 -0.765 . . . . 25.0 111.825 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.1 -42.43 89.3 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.093 -0.379 . . . . 25.0 111.703 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.2 mt -78.37 -40.72 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.96 -35.35 74.77 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.93 0.395 . . . . 25.0 110.367 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -113.98 34.2 4.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -62.42 -23.2 66.73 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.409 0.623 . . . . 25.0 109.715 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.3 -29.38 69.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.0 7.67 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.296 0.57 . . . . 25.0 110.632 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -125.82 77.86 69.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.318 -0.993 . . . . 25.0 108.318 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.7 -22.66 37.11 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.1 -1.467 . . . . 25.0 114.859 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.09 -39.63 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.207 0.527 . . . . 25.0 109.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.89 -25.69 6.89 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.03 -0.532 . . . . 25.0 109.657 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.19 -37.95 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 25.0 110.387 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' HE21 ' A' ' 14' ' ' GLN . . . -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.249 177.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.8 -32.07 59.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.73 -49.74 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.6 98.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.371 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -62.79 -36.78 84.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.961 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -67.37 -35.56 79.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.64 -43.4 98.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.982 -0.449 . . . . 25.0 110.444 175.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.9 -44.18 97.33 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.168 0.508 . . . . 25.0 110.973 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.84 -36.42 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.02 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.59 -38.18 83.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.904 -0.497 . . . . 25.0 111.634 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.42 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 26.9 mmtp . . . . . 0 N--CA 1.471 0.587 0 O-C-N 121.748 -0.595 . . . . 25.0 111.861 174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.136 0 CA-C-O 120.465 -0.075 . . . . 25.0 112.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.91 -37.49 78.99 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -37.46 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.619 0.724 . . . . 25.0 109.918 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.45 -41.52 76.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.984 -0.448 . . . . 25.0 111.269 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -70.72 -12.12 61.36 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.82 -24.36 19.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -83.83 88.82 7.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.456 0.646 . . . . 25.0 109.816 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.26 -38.37 12.31 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.638 2.088 . . . . 25.0 116.638 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -66.65 -28.26 68.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.497 -0.752 . . . . 25.0 112.577 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -76.23 -38.19 56.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -58.25 -36.05 56.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -55.81 -47.3 77.39 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.8 -39.31 66.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.278 0.561 . . . . 25.0 110.107 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.84 -23.57 65.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -57.42 -44.04 84.29 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -69.26 -45.98 68.4 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.572 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.81 96.51 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -41.29 98.95 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.53 -43.04 70.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 p -66.24 -27.34 67.89 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -71.11 -21.25 62.23 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.584 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.48 80.84 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 121.528 -0.368 . . . . 25.0 112.989 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -97.94 121.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.81 84.38 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.592 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.84 161.71 38.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.08 146.75 24.39 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.996 -1.112 . . . . 25.0 107.996 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.33 -49.51 43.84 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.03 68.21 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.03 -22.99 26.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -52.77 5.95 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.2 0.455 . . . . 25.0 110.631 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.02 -19.97 61.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.13 -39.95 63.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.241 0.543 . . . . 25.0 110.628 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -82.06 -23.92 35.57 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.199 -0.313 . . . . 25.0 111.755 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.42 -20.85 62.06 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -35.56 21.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.795 -0.566 . . . . 25.0 110.242 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.7 -35.74 77.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.96 -31.85 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 122.029 -0.419 . . . . 25.0 110.986 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.81 -35.04 78.61 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.723 -0.611 . . . . 25.0 111.859 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.36 -52.22 29.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 25.0 110.914 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -70.19 -28.34 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.622 0.725 . . . . 25.0 112.408 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -132.16 78.68 68.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.431 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.22 -14.82 31.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-O 121.727 0.636 . . . . 25.0 112.362 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -16.95 48.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.884 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.38 -51.67 59.0 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.004 -0.435 . . . . 25.0 111.883 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -71.58 -23.42 23.23 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 113.707 -3.729 . . . . 25.0 114.1 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -39.65 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.876 0.324 . . . . 25.0 111.876 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' A' ' 55' ' ' ARG . 40.8 mt-10 -77.5 -20.44 54.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.29 27.95 58.44 Favored Glycine 0 C--O 1.227 -0.289 0 N-CA-C 116.397 1.319 . . . . 25.0 116.397 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -126.75 131.82 51.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.71 103.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.573 1.177 . . . . 25.0 110.006 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.91 164.16 33.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.314 -2.106 . . . . 25.0 105.314 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -65.75 -31.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 -171.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -70.85 -25.27 62.75 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.781 -0.574 . . . . 25.0 109.974 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' A' ' 48' ' ' GLU . 58.9 mtt-85 -85.33 -37.93 19.37 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.659 0.266 . . . . 25.0 110.642 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -63.84 -36.34 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -64.31 -34.48 78.23 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.189 -0.604 . . . . 25.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -60.05 -27.76 67.21 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.783 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.59 -36.75 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.15 -36.92 72.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.26 -40.68 97.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.796 -1.186 . . . . 25.0 107.796 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -43.42 95.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.659 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.19 -34.99 78.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.05 -45.14 93.65 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -73.14 -33.53 65.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.351 0.596 . . . . 25.0 111.417 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.07 -39.46 94.13 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.07 -41.06 78.06 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.963 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -59.44 -23.9 63.07 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.185 -0.322 . . . . 25.0 111.534 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.7 m -64.65 -55.96 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.4 12.02 6.95 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.47 2.026 . . . . 25.0 116.47 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.46 -151.05 37.54 Favored Glycine 0 C--O 1.243 0.685 0 C-N-CA 120.609 -0.805 . . . . 25.0 111.775 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.3 -11.57 32.38 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 118.607 1.204 . . . . 25.0 114.33 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.02 -22.03 62.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 25.0 110.516 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -95.22 -38.37 10.6 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.4 t -134.34 130.95 20.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.52 147.69 41.29 Favored 'Trans proline' 0 CA--C 1.517 -0.344 0 C-N-CA 114.136 -3.443 . . . . 25.0 110.755 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.58 -21.39 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.639 -0.663 . . . . 25.0 111.721 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -71.49 -23.58 61.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 121.512 -0.742 . . . . 25.0 111.186 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.72 81.37 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 119.982 -0.687 . . . . 25.0 110.421 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -69.65 -31.64 69.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.406 0.622 . . . . 25.0 110.944 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -72.29 -43.42 64.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -64.43 -39.41 93.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.075 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -61.06 -38.59 86.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 25.0 111.778 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.74 -44.47 77.47 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.13 -29.61 29.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.231 -0.988 . . . . 25.0 108.687 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -58.38 -50.97 71.78 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.57 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -67.86 -30.14 69.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 120.572 -0.451 . . . . 25.0 110.785 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.6 -41.17 76.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.55 -39.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.38 -29.59 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 25.0 111.065 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -117.65 33.28 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.56 -21.76 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.239 0.543 . . . . 25.0 109.617 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.06 -29.01 70.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.34 10.02 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.275 0.56 . . . . 25.0 111.116 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -125.01 86.12 57.05 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.773 -0.455 . . . . 25.0 109.773 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.12 -22.57 40.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 N-CA-C 114.92 1.085 . . . . 25.0 114.92 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -65.33 -47.4 76.63 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.21 -30.86 12.9 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 C-N-CA 119.281 -0.967 . . . . 25.0 110.178 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -57.64 -42.06 82.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.562 0.619 . . . . 25.0 110.791 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.4 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.517 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.59 58.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.99 -49.79 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.59 96.86 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.96 -36.43 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -67.78 -39.73 84.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.08 -39.7 93.34 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.265 -0.272 . . . . 25.0 110.675 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.01 -47.39 74.63 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.005 0.431 . . . . 25.0 111.943 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.34 -34.8 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.2 -32.62 72.38 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 118.094 0.406 . . . . 25.0 111.39 176.425 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.559 0 N-CA-C 110.801 -0.92 . . . . 25.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -67.12 -24.34 65.92 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 122.533 -0.392 . . . . 25.0 111.81 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -85.5 -44.28 12.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.457 0.646 . . . . 25.0 111.606 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.79 -40.66 97.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -59.24 -21.45 59.58 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -91.79 -19.66 22.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.017 0.826 . . . . 25.0 110.337 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.17 91.4 7.69 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.09 -32.14 63.88 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.26 -37.27 69.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.514 0.673 . . . . 25.0 110.932 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -82.6 -43.16 17.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.563 -0.744 . . . . 25.0 110.145 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.35 -43.93 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.21 -38.92 88.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.558 0.617 . . . . 25.0 111.088 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.23 71.93 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -23.44 66.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.0 -30.29 70.85 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.5 -48.36 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.71 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -39.6 90.6 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.949 -0.469 . . . . 25.0 110.716 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -76.5 -38.09 55.78 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.3 p -67.53 -19.8 65.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -73.41 -18.53 61.14 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 120.271 -0.571 . . . . 25.0 110.439 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 -0.49 83.78 Favored Glycine 0 CA--C 1.517 0.188 0 CA-C-O 121.836 0.687 . . . . 25.0 112.405 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.27 132.6 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -82.48 84.48 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 146.73 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.527 0.68 . . . . 25.0 110.17 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -85.68 132.56 34.13 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.874 -1.528 . . . . 25.0 106.874 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -49.1 69.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.42 76.0 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.961 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -75.09 -38.17 61.3 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.14 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -49.41 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.557 -0.857 . . . . 25.0 109.671 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.05 -34.17 69.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.471 -0.786 . . . . 25.0 112.678 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -26.41 68.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.502 -0.749 . . . . 25.0 112.732 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -76.23 -26.57 56.19 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.544 -0.722 . . . . 25.0 109.871 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -72.79 -28.7 62.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.47 -35.7 68.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.04 -30.35 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.842 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -60.93 -50.72 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.229 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -65.72 -40.54 92.3 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.466 -0.894 . . . . 25.0 111.424 -170.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -24.93 64.04 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 m -97.2 -34.07 11.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.361 0.6 . . . . 25.0 112.347 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -121.59 78.32 37.71 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 123.541 0.736 . . . . 25.0 110.072 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -70.66 -18.47 32.75 Favored 'Trans proline' 0 C--O 1.223 -0.257 0 C-N-CA 118.075 -0.816 . . . . 25.0 113.18 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -23.87 48.59 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.32 -51.78 71.12 Favored Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 113.541 0.941 . . . . 25.0 113.541 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -68.88 -22.72 35.92 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 113.019 -4.188 . . . . 25.0 113.307 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -15.63 62.63 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.27 -19.09 58.64 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.53 21.08 40.71 Favored Glycine 0 C--O 1.222 -0.597 0 N-CA-C 115.187 0.835 . . . . 25.0 115.187 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -134.26 132.62 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.562 0.681 . . . . 25.0 110.554 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -110.78 114.59 47.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 122.408 1.099 . . . . 25.0 109.126 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.37 162.57 39.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 -30.04 49.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -70.77 -34.35 71.73 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.86 -0.525 . . . . 25.0 109.69 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.08 -39.86 65.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.15 -27.26 68.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.377 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -52.56 -50.13 63.55 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 120.98 0.419 . . . . 25.0 110.605 176.026 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.93 -28.85 54.2 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 114.556 -1.202 . . . . 25.0 113.419 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -71.12 -42.75 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 25.0 110.624 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -35.63 49.21 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.487 -1.045 . . . . 25.0 110.487 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.0 -39.42 94.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -50.02 73.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.958 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -59.79 -36.51 76.88 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.113 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.73 -48.11 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -74.29 -29.95 61.87 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.289 -178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.53 -38.92 84.94 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.234 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -64.24 -32.5 74.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.995 -0.44 . . . . 25.0 110.597 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -82.87 -42.09 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -118.27 0.31 11.68 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.8 -178.65 48.12 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 116.722 1.449 . . . . 25.0 116.722 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.48 -16.4 34.54 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.09 1.86 . . . . 25.0 113.75 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -70.76 -19.86 62.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 25.0 110.173 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -110.23 -33.33 6.68 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.47 131.03 24.54 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.28 149.56 19.47 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 114.865 -2.957 . . . . 25.0 112.443 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.18 -20.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 25.0 110.783 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -72.5 -18.5 61.66 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.626 -0.671 . . . . 25.0 111.314 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.83 83.89 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.182 -0.607 . . . . 25.0 109.469 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.88 -32.87 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.247 0.546 . . . . 25.0 111.023 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -69.89 -45.64 67.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.22 -43.93 96.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.021 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -55.15 -39.49 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.863 0.363 . . . . 25.0 111.283 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.05 -34.89 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.577 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tt -63.82 -38.6 91.7 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.948 0.404 . . . . 25.0 110.465 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.16 -30.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 121.162 -0.962 . . . . 25.0 108.873 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -58.96 -44.41 91.47 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.569 -0.707 . . . . 25.0 110.21 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.34 -30.37 69.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.843 0.747 . . . . 25.0 110.371 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.508 HD22 HG11 ' A' ' 99' ' ' VAL . 75.0 mt -68.0 -38.6 82.81 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.122 -0.231 . . . . 25.0 111.435 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.63 -41.75 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 25.0 109.696 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.89 -40.49 84.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.203 0.525 . . . . 25.0 109.695 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.88 38.79 2.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -64.22 -18.14 64.23 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.228 0.537 . . . . 25.0 109.603 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.7 -32.16 72.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.98 7.9 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.661 0.743 . . . . 25.0 110.188 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -123.17 79.48 52.18 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.13 -20.4 33.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 117.778 -1.015 . . . . 25.0 114.666 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -69.61 -42.03 74.93 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.508 HG11 HD22 ' A' ' 89' ' ' LEU . 5.8 m -78.1 -25.17 14.1 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 O-C-N 121.06 -1.025 . . . . 25.0 110.21 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -36.7 80.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.76 74.59 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.012 -0.43 . . . . 25.0 110.604 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.2 61.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 122.123 -0.361 . . . . 25.0 110.548 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.57 -48.4 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.61 78.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.025 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.36 -37.75 88.5 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.9 m -64.07 -42.55 96.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -61.03 -42.62 98.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.415 -0.514 . . . . 25.0 112.13 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.11 -45.51 92.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.145 0.498 . . . . 25.0 109.984 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.11 -42.96 88.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.78 -40.88 96.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.286 0.494 . . . . 25.0 111.843 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.5 mttt . . . . . 0 C--N 1.324 -0.515 0 CA-C-O 121.079 0.466 . . . . 25.0 110.074 179.316 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 113.834 0.294 . . . . 25.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -63.63 -40.68 97.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.129 0.465 . . . . 25.0 110.003 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.84 -37.57 82.07 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.21 -38.3 88.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.127 -0.983 . . . . 25.0 111.918 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -73.67 -25.11 60.1 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -78.04 -30.02 49.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.933 0.873 . . . . 25.0 109.922 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.27 85.11 3.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.761 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.74 -37.23 50.24 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -61.44 -28.5 69.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -84.5 -41.87 16.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.23 -37.65 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.32 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 52.6 mm-40 -52.25 -41.64 62.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.331 0.493 . . . . 25.0 112.331 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -41.16 17.33 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -32.06 73.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -173.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 56.7 pttt -66.69 -29.15 69.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 121.393 -0.817 . . . . 25.0 110.385 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.26 -38.81 63.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.34 91.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.94 -0.475 . . . . 25.0 110.891 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -41.36 90.53 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.05 -46.91 69.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -68.26 -18.43 64.54 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -22.91 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.61 5.48 89.9 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.88 107.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.14 84.26 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.155 0.502 . . . . 25.0 111.037 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -126.16 135.44 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -72.03 157.05 38.52 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.926 -0.484 . . . . 25.0 110.399 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.2 -43.87 74.8 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.11 71.58 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 123.273 0.358 . . . . 25.0 111.228 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -77.67 -46.85 20.75 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -51.42 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.032 -0.667 . . . . 25.0 111.727 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.3 -19.9 65.72 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -62.32 -31.26 71.85 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 119.217 -0.993 . . . . 25.0 110.482 175.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -76.4 -23.89 54.04 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.994 -1.066 . . . . 25.0 110.832 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -76.51 -22.36 54.55 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.23 -34.98 36.76 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.524 -0.735 . . . . 25.0 109.052 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.46 -38.17 90.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.998 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.54 -31.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.578 -0.701 . . . . 25.0 111.23 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.9 -42.04 97.23 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.271 -0.893 . . . . 25.0 108.891 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.75 -53.14 19.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.605 -0.725 . . . . 25.0 112.065 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -72.03 -27.54 62.78 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.476 0.655 . . . . 25.0 112.492 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 63.1 m -125.29 78.43 67.35 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 25.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.57 -14.65 37.02 Favored 'Trans proline' 0 C--N 1.346 0.395 0 CA-C-O 122.041 0.767 . . . . 25.0 111.897 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -14.68 57.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.516 175.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.26 -53.21 33.17 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 118.328 0.513 . . . . 25.0 111.092 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.26 -21.23 27.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.47 -3.887 . . . . 25.0 113.55 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.6 -37.86 87.81 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.27 -0.269 . . . . 25.0 111.319 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 56.96 33.87 64.61 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 116.228 -0.442 . . . . 25.0 113.73 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.3 m -123.97 126.23 45.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.802 -1.185 . . . . 25.0 107.802 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.1 mt -122.31 103.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.714 1.245 . . . . 25.0 109.943 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.54 165.58 27.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.66 -30.56 50.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 117.725 0.238 . . . . 25.0 111.462 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -69.13 -31.89 70.88 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.472 -0.768 . . . . 25.0 110.215 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -76.25 -41.35 49.38 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -67.43 -30.1 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -61.6 -41.28 97.23 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 110.448 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -62.1 -25.06 67.5 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.24 -39.93 79.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.02 -36.14 64.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.482 -0.866 . . . . 25.0 110.989 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -60.18 -40.68 90.86 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 25.0 107.968 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -42.84 93.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.216 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -63.68 -37.08 85.99 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.21 -40.55 86.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.618 0.246 . . . . 25.0 110.713 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -63.18 -47.51 82.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.907 0.861 . . . . 25.0 109.493 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.52 -38.83 92.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.389 0.614 . . . . 25.0 110.223 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -65.79 -45.59 81.87 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -29.61 70.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -172.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -60.16 -43.05 96.09 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.23 -5.64 6.04 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.32 -161.99 39.72 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.795 -0.717 . . . . 25.0 112.446 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -70.05 -9.8 26.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.226 1.284 . . . . 25.0 115.383 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -75.46 -5.56 45.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -117.42 -43.25 2.83 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.21 130.88 24.2 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 105.772 -1.936 . . . . 25.0 105.772 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.19 151.56 38.83 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.671 -3.086 . . . . 25.0 111.87 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.7 -20.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 121.876 -0.515 . . . . 25.0 110.703 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.28 -19.38 61.69 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.734 -0.604 . . . . 25.0 111.095 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.8 82.71 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.075 -0.65 . . . . 25.0 109.417 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.2 -31.28 65.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.152 0.501 . . . . 25.0 110.852 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.2 t -71.23 -43.67 66.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -63.2 -44.04 96.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -58.49 -40.38 82.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.877 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -63.78 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.357 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.97 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.02 -30.65 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -57.6 -45.68 85.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.03 -0.419 . . . . 25.0 110.448 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -75.1 -25.65 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.833 -0.747 . . . . 25.0 111.254 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 99' ' ' VAL . 51.5 mt -66.54 -40.34 89.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.05 -0.407 . . . . 25.0 110.497 175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.65 -41.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.0 -27.32 68.23 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.086 0.47 . . . . 25.0 110.966 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -119.37 35.03 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -63.67 -19.64 65.06 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.014 0.435 . . . . 25.0 110.512 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.59 8.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.504 0.668 . . . . 25.0 110.793 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -123.03 79.78 51.16 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.98 -21.45 56.75 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 117.855 -0.963 . . . . 25.0 114.336 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.61 -50.2 68.1 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.62 HG11 HD22 ' A' ' 89' ' ' LEU . 3.6 m -77.11 -27.71 16.32 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.5 tpt -58.23 -42.16 85.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.234 0.47 . . . . 25.0 110.152 174.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.53 77.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.32 . . . . 25.0 110.185 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.48 56.89 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.121 -0.362 . . . . 25.0 110.479 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.15 -50.16 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.27 91.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.311 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.63 -39.41 91.2 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.47 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -69.0 -36.67 78.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.509 -0.744 . . . . 25.0 109.667 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.54 -44.03 97.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.929 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.12 -42.04 94.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.142 -0.349 . . . . 25.0 111.715 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.55 -38.99 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.27 -40.76 94.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.092 -0.38 . . . . 25.0 111.353 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.454 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 29.9 mmtp . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.573 0 CA-C-O 119.977 -0.346 . . . . 25.0 113.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.69 -38.61 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.866 0.833 . . . . 25.0 110.84 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.92 -39.96 83.43 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.069 -0.394 . . . . 25.0 110.735 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.03 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.6 -22.09 32.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.334 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -79.39 77.02 5.96 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.18 -31.08 41.02 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.36 -30.22 71.27 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.603 -0.685 . . . . 25.0 111.92 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -84.19 -39.87 18.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.05 -40.09 52.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.679 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -52.79 -52.16 57.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.085 0.469 . . . . 25.0 111.767 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -36.38 78.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.36 -23.42 66.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -57.05 -40.25 76.44 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -73.08 -43.29 62.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.105 -0.952 . . . . 25.0 110.076 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.51 90.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.42 -40.2 96.54 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -71.36 -40.29 70.72 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 p -66.49 -21.78 66.18 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -72.47 -16.23 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.508 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.12 8.36 69.44 Favored Glycine 0 C--O 1.229 -0.191 0 N-CA-C 114.1 0.4 . . . . 25.0 114.1 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.72 137.89 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.48 84.29 7.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 25.0 109.919 -176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.14 157.09 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -104.67 152.85 21.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.81 -41.97 78.74 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.5 74.48 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 111.588 0.218 . . . . 25.0 111.588 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.4 -47.67 17.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.129 0.49 . . . . 25.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.38 -49.99 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.306 0.574 . . . . 25.0 110.174 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.31 -19.9 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.22 -40.0 96.23 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -72.37 -28.63 63.14 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.702 -0.623 . . . . 25.0 111.387 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.04 -21.46 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.389 0.614 . . . . 25.0 109.564 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.83 -29.52 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.385 -0.822 . . . . 25.0 110.66 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.48 -38.09 86.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.002 -0.544 . . . . 25.0 111.481 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -41.74 92.51 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -40.21 95.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.049 -0.407 . . . . 25.0 111.682 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -26.19 66.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.722 0.267 . . . . 25.0 111.722 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -97.23 -29.42 13.58 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.443 0.639 . . . . 25.0 112.247 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.1 m -119.45 82.78 25.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 123.113 0.565 . . . . 25.0 110.876 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.27 -18.6 34.48 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 118.288 -0.674 . . . . 25.0 112.697 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -14.18 54.98 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.916 -0.583 . . . . 25.0 112.46 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.03 -49.17 36.86 Favored Pre-proline 0 CA--C 1.537 0.476 0 O-C-N 121.426 -0.796 . . . . 25.0 112.764 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.81 -22.87 42.32 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 113.46 -3.893 . . . . 25.0 113.049 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.77 -27.94 69.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.527 0.331 . . . . 25.0 111.452 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.76 -23.16 63.33 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.212 -0.305 . . . . 25.0 111.357 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.72 20.49 47.36 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 114.424 0.53 . . . . 25.0 114.424 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -132.96 133.13 42.77 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.545 0.338 . . . . 25.0 110.638 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.443 HG13 ' HB ' ' A' ' 106' ' ' THR . 40.6 mm -115.47 102.69 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 CA-C-O 123.666 1.698 . . . . 25.0 109.279 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -156.48 163.15 39.76 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 112.997 -1.91 . . . . 25.0 108.303 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.12 -26.0 37.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.91 -37.63 77.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -85.55 -43.98 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.05 0.453 . . . . 25.0 111.543 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -62.11 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -59.96 -40.4 88.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.832 -0.542 . . . . 25.0 111.303 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -59.29 -26.63 65.12 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.55 -41.12 85.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.405 0.621 . . . . 25.0 110.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.63 53.34 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.147 -1.181 . . . . 25.0 110.147 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 -43.63 91.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.132 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -64.2 -36.73 85.01 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.43 -44.28 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -61.41 -49.96 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.84 0.828 . . . . 25.0 109.837 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.86 -34.81 78.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.76 -38.45 83.46 Favored 'General case' 0 C--O 1.214 -0.795 0 O-C-N 122.288 -0.257 . . . . 25.0 111.136 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.66 65.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.419 -0.8 . . . . 25.0 110.358 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 m -64.06 -41.19 97.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.33 -2.83 6.25 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 116.967 2.21 . . . . 25.0 116.967 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.79 -175.94 52.05 Favored Glycine 0 C--O 1.243 0.711 0 O-C-N 121.533 -0.729 . . . . 25.0 114.31 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.47 -7.62 21.62 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.104 1.869 . . . . 25.0 115.317 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.18 -19.92 61.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 25.0 110.138 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -101.54 -42.64 6.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 80.5 t -119.05 131.17 24.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.517 ' HB2' HG22 ' A' ' 78' ' ' THR . 91.6 Cg_endo -80.42 150.03 19.35 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 115.738 -2.374 . . . . 25.0 111.833 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.49 -24.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.22 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 76' ' ' PRO . 5.8 t -67.67 -21.51 65.35 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.945 -0.472 . . . . 25.0 111.581 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.2 -27.08 67.72 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.445 -0.785 . . . . 25.0 111.563 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -81.52 -30.67 33.11 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -69.64 -45.3 68.76 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.107 -1.406 . . . . 25.0 109.625 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.55 -43.69 93.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.289 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -55.65 -41.77 74.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.974 0.416 . . . . 25.0 111.717 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.28 -33.31 75.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.479 . . . . 25.0 111.864 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 25.0 110.503 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.88 -30.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -56.1 -43.02 77.67 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.952 -0.467 . . . . 25.0 111.516 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.71 -24.82 38.53 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.203 -0.311 . . . . 25.0 110.949 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.04 -42.43 89.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.39 -43.28 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.769 0.319 . . . . 25.0 110.491 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.19 -38.07 82.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.4 . . . . 25.0 110.483 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -107.51 36.0 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -60.72 -24.69 65.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.258 0.551 . . . . 25.0 110.231 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.45 -32.49 70.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -112.87 10.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.681 0.753 . . . . 25.0 109.304 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -127.7 82.79 67.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.686 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.42 -17.67 43.99 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 117.628 -1.115 . . . . 25.0 113.663 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -50.96 63.75 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -76.84 -25.21 15.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.09 -0.644 . . . . 25.0 111.709 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -34.03 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.8 -0.563 . . . . 25.0 110.125 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.49 74.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.067 -0.396 . . . . 25.0 110.682 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -31.68 50.84 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.289 -0.257 . . . . 25.0 110.402 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.83 -51.68 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.79 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.881 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.79 -41.52 97.92 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.269 -0.572 . . . . 25.0 112.106 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 51' ' ' ILE . 23.5 m -65.96 -42.95 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -55.67 -46.14 77.6 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.156 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.29 -30.6 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.9 -38.44 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.07 -27.75 67.63 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 179.38 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.148 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.72 -27.71 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.448 -0.442 . . . . 25.0 110.871 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -78.18 -38.38 43.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.723 0.773 . . . . 25.0 109.856 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.96 -36.47 84.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -68.16 -13.45 62.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -113.66 -3.3 13.59 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.001 0.429 . . . . 25.0 111.74 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -85.91 92.51 8.68 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 105.831 -1.914 . . . . 25.0 105.831 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -53.91 -34.71 60.34 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -172.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -56.36 -38.94 72.09 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.015 -0.428 . . . . 25.0 111.823 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -77.49 -39.74 45.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.408 0.623 . . . . 25.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.3 -38.02 66.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.599 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.924 -0.711 . . . . 25.0 109.754 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.74 -23.55 63.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -56.32 -40.94 75.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 106.686 -1.598 . . . . 25.0 106.686 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -83.81 -44.84 13.94 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.306 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.3 89.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.36 -39.59 92.51 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.5 -41.32 80.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -69.89 -23.27 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.189 0.45 . . . . 25.0 111.96 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -71.6 -21.71 61.82 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.044 -0.662 . . . . 25.0 109.458 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.66 16.77 78.7 Favored Glycine 0 C--O 1.228 -0.275 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.0 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.18 128.86 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -77.04 84.32 3.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.89 0.376 . . . . 25.0 110.907 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -119.33 135.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -74.7 145.23 43.29 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.82 -43.53 69.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.907 -0.496 . . . . 25.0 112.011 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.39 77.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.84 -40.6 68.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.305 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.97 -54.78 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 25.0 110.686 -176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -19.85 66.08 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -60.15 -35.04 74.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.628 -0.67 . . . . 25.0 109.96 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.89 -25.14 55.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.808 -0.557 . . . . 25.0 111.996 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.95 -32.38 69.24 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -38.82 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.687 0.756 . . . . 25.0 110.967 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.17 -30.26 69.21 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.05 -27.7 38.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 119.946 -0.702 . . . . 25.0 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -66.08 -43.27 87.82 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -169.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.61 -32.87 73.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.172 0.51 . . . . 25.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -77.28 -37.99 51.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.335 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -124.55 79.66 61.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 123.181 0.592 . . . . 25.0 110.42 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.37 -22.72 33.47 Favored 'Trans proline' 0 C--O 1.222 -0.324 0 CA-C-O 121.216 0.423 . . . . 25.0 112.529 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -15.04 60.04 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -64.46 -52.99 49.05 Favored Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.689 -0.632 . . . . 25.0 112.318 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.07 -20.88 24.68 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 113.628 -3.782 . . . . 25.0 114.386 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.38 -34.72 78.98 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.957 0.408 . . . . 25.0 111.005 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.21 -16.56 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 25.0 110.853 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.45 23.5 48.95 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.4 m -134.92 138.0 43.68 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' HB ' ' A' ' 106' ' ' THR . 30.6 mm -116.57 115.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.354 1.073 . . . . 25.0 109.264 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -154.8 168.9 25.34 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.665 -1.152 . . . . 25.0 108.04 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.72 -38.71 80.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.419 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -61.04 -34.44 74.87 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.155 0.434 . . . . 25.0 111.884 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -78.47 -34.97 47.25 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.183 0.447 . . . . 25.0 110.058 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -64.94 -28.66 69.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -61.51 -48.3 81.69 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.54 -29.08 58.28 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 113.954 -1.475 . . . . 25.0 113.074 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.79 -41.36 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.451 0.643 . . . . 25.0 109.577 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -36.44 67.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.645 -0.982 . . . . 25.0 110.645 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -38.24 89.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.04 93.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.606 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.81 -39.41 94.18 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -65.41 -39.19 91.85 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.286 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.86 -50.21 74.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.986 0.898 . . . . 25.0 109.931 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -32.32 73.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.935 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.03 -38.33 69.58 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.113 -0.494 . . . . 25.0 112.201 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -32.04 67.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.267 -0.896 . . . . 25.0 109.417 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.1 m -66.22 -42.99 87.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.448 -0.796 . . . . 25.0 113.041 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.23 3.64 6.38 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.543 2.423 . . . . 25.0 117.543 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.72 -167.31 54.48 Favored Glycine 0 C--O 1.247 0.924 0 O-C-N 121.573 -0.704 . . . . 25.0 114.061 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -70.96 -10.15 27.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 121.091 1.194 . . . . 25.0 113.503 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.63 -25.12 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.448 0.642 . . . . 25.0 110.243 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -107.14 -42.28 4.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.0 t -122.81 131.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.7 Cg_endo -77.48 148.79 26.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 115.712 -2.392 . . . . 25.0 112.659 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.46 -21.23 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.945 -0.472 . . . . 25.0 111.722 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 76' ' ' PRO . 13.7 t -70.12 -22.63 62.99 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.542 -0.724 . . . . 25.0 110.985 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.41 87.15 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 119.922 -0.711 . . . . 25.0 109.957 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -72.03 -32.65 67.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.513 0.673 . . . . 25.0 110.897 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.77 -46.68 68.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.2 -40.3 93.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 25.0 110.444 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -58.11 -39.11 77.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.231 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -64.74 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.678 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.87 -38.08 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.33 0.586 . . . . 25.0 110.073 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.87 -31.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.601 -0.687 . . . . 25.0 109.264 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -58.14 -46.85 84.92 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.152 -0.343 . . . . 25.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.95 -41.28 74.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.037 -0.414 . . . . 25.0 111.663 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.5 mt -74.09 -40.86 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.87 -35.48 74.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 25.0 110.858 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -111.01 30.88 6.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.103 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -59.75 -26.29 65.56 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -62.91 -35.65 80.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -106.15 7.63 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.267 0.556 . . . . 25.0 111.361 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -125.18 78.53 66.82 Favored Pre-proline 0 N--CA 1.469 0.492 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -66.78 -18.61 53.2 Favored 'Trans proline' 0 C--N 1.346 0.418 0 N-CA-C 114.659 0.984 . . . . 25.0 114.659 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -63.29 -46.39 86.95 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.9 -27.86 6.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.565 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -38.83 85.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.637 -0.664 . . . . 25.0 111.236 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.77 71.18 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.406 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.43 -32.25 58.35 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.992 -0.443 . . . . 25.0 109.819 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.5 -47.68 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.37 90.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.151 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.19 -36.05 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.401 ' HB ' HG13 ' A' ' 51' ' ' ILE . 32.6 m -63.21 -41.78 99.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.06 -41.62 96.96 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.024 -0.423 . . . . 25.0 111.812 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.03 -45.97 91.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.374 0.607 . . . . 25.0 110.534 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.04 -38.08 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.42 -37.1 79.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.617 -0.677 . . . . 25.0 110.615 176.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 N-CA-C 112.848 -0.101 . . . . 25.0 112.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -39.37 82.84 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.451 -0.44 . . . . 25.0 111.089 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -75.38 -39.92 58.59 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.025 0.916 . . . . 25.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.42 -35.22 73.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.96 -0.563 . . . . 25.0 110.903 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -76.7 -6.96 54.31 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -99.06 -24.03 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -79.04 103.56 9.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.739 0.304 . . . . 25.0 111.667 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.87 -43.73 6.52 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -74.21 -37.6 63.84 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.473 -0.767 . . . . 25.0 111.773 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.23 -41.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 25.0 110.077 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -45.9 90.9 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.563 0.62 . . . . 25.0 111.567 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -61.67 -41.24 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.186 0.517 . . . . 25.0 110.103 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.45 -23.72 63.71 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -62.14 -39.55 92.96 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -76.02 -42.57 47.56 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.291 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.65 94.46 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.14 -39.69 93.44 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.81 -45.75 67.2 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -66.87 -22.17 65.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.825 0.345 . . . . 25.0 111.393 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -68.42 -18.99 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.366 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 4.27 84.39 Favored Glycine 0 C--O 1.239 0.444 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.407 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.56 145.44 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 107.032 -1.469 . . . . 25.0 107.032 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -97.48 84.34 3.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -170.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.87 159.54 22.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -104.79 160.16 15.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.83 -40.15 91.69 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.953 -0.299 . . . . 25.0 110.345 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.05 82.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.734 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -78.59 -46.9 18.3 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.695 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.78 -53.68 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 -19.96 66.13 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -59.25 -37.14 76.85 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.405 -0.809 . . . . 25.0 109.982 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -73.73 -23.74 59.81 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 121.342 -0.849 . . . . 25.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.62 -27.15 62.91 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 173.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -71.11 -33.85 70.55 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -67.24 -42.07 84.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.155 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -36.03 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 176.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -39.21 86.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.94 -0.475 . . . . 25.0 111.528 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.93 -46.65 20.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -72.87 -29.1 62.92 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.333 0.587 . . . . 25.0 111.611 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.2 m -125.55 78.54 68.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.193 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.18 -16.82 31.68 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.07 0.363 . . . . 25.0 112.669 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -20.0 51.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.315 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -61.92 -53.28 61.41 Favored Pre-proline 0 CA--C 1.543 0.686 0 O-C-N 121.86 -0.525 . . . . 25.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.33 -23.6 23.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 113.78 -3.68 . . . . 25.0 115.136 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.62 -37.27 86.11 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' CD ' HH12 ' A' ' 55' ' ' ARG . 44.0 mt-10 -79.64 -6.78 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.32 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.4 22.22 50.69 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 173.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -130.67 136.98 49.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.767 0.784 . . . . 25.0 110.138 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -124.13 103.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.509 1.147 . . . . 25.0 109.029 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.91 163.24 24.08 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.47 -36.13 75.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -57.13 -37.35 71.88 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.101 0.477 . . . . 25.0 110.492 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.502 HH12 ' CD ' ' A' ' 48' ' ' GLU . 83.6 mtt-85 -79.33 -37.76 36.79 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.866 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -64.69 -30.17 71.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -59.78 -49.88 75.99 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.895 0.855 . . . . 25.0 108.717 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -55.74 -28.64 56.93 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 113.702 -1.59 . . . . 25.0 114.131 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.37 -40.92 87.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.551 0.691 . . . . 25.0 109.396 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.78 -33.47 55.41 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.165 -0.774 . . . . 25.0 111.165 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.88 -39.96 93.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 176.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.6 -43.26 94.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.646 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.16 -39.32 94.32 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -64.96 -45.83 84.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.375 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -67.89 -37.94 82.39 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.559 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.3 -37.4 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.18 -38.21 89.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.075 -0.39 . . . . 25.0 110.221 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.44 -32.36 73.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.961 0.41 . . . . 25.0 110.185 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.1 m -76.12 -42.07 48.13 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.51 0.68 6.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -170.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -177.76 54.23 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 116.331 1.293 . . . . 25.0 116.331 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.92 -8.02 22.68 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.226 2.617 . . . . 25.0 114.944 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.98 -26.99 61.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.063 0.459 . . . . 25.0 111.453 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.39 -38.32 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.798 -0.637 . . . . 25.0 111.414 -171.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.39 131.01 24.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 104.319 -2.474 . . . . 25.0 104.319 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HB2' HG22 ' A' ' 78' ' ' THR . 89.4 Cg_endo -85.86 154.82 10.05 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 115.466 -2.556 . . . . 25.0 112.489 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.31 -23.07 31.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.712 -0.618 . . . . 25.0 111.496 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 76' ' ' PRO . 4.3 t -70.75 -23.01 62.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.665 -0.647 . . . . 25.0 111.318 177.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.57 81.55 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 120.059 -0.656 . . . . 25.0 110.805 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -70.86 -32.34 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 25.0 110.562 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.7 t -68.76 -46.94 67.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.01 -40.87 95.54 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.177 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.75 -39.64 77.85 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.108 -0.37 . . . . 25.0 111.146 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.83 -32.27 72.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.445 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.87 -43.94 97.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.898 0.38 . . . . 25.0 110.149 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.6 mp -77.32 -31.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.03 -49.9 72.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.125 -0.359 . . . . 25.0 110.508 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.275 -0.57 . . . . 25.0 111.287 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.67 -40.52 84.47 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 121.877 -0.514 . . . . 25.0 111.582 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.17 -37.95 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.92 -18.96 65.69 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.01 35.37 3.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.215 0.531 . . . . 25.0 110.582 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.59 -28.73 70.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.3 pm0 -69.0 -19.31 64.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -111.2 7.34 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.469 0.652 . . . . 25.0 109.44 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -128.55 77.83 76.75 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.76 -19.77 59.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 116.992 -1.539 . . . . 25.0 114.605 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -69.21 -36.09 76.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.95 -29.51 6.64 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.286 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.807 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.76 -43.41 94.31 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.587 0.63 . . . . 25.0 110.208 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.01 71.12 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.401 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.53 -29.6 59.51 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.58 -48.69 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.6 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -62.37 -38.69 90.55 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.644 -0.422 . . . . 25.0 112.136 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -36.6 77.79 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.627 -0.879 . . . . 25.0 108.627 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.26 -39.23 89.58 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.913 -0.492 . . . . 25.0 111.525 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.7 -47.46 72.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.524 . . . . 25.0 110.573 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.7 mt -64.0 -38.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.023 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.42 -37.95 87.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.898 -0.501 . . . . 25.0 112.025 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mttp . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 178.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.418 0 N-CA-C 111.963 -0.455 . . . . 25.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.23 -41.14 86.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.935 0.368 . . . . 25.0 111.224 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.46 -23.21 50.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.76 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.16 -39.85 82.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.555 -0.716 . . . . 25.0 109.966 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -14.49 63.03 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 172.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.7 -24.89 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.399 0.619 . . . . 25.0 109.864 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.28 91.56 3.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -45.61 -43.38 12.22 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.55 -24.51 64.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.371 0.605 . . . . 25.0 112.332 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -83.62 -41.37 17.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.48 -36.67 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.188 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.2 -42.57 95.39 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -69.04 -41.23 77.94 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.649 -0.657 . . . . 25.0 109.666 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.13 -23.84 66.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.37 -42.58 74.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -84.07 -37.03 22.59 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.987 -0.552 . . . . 25.0 111.697 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.25 85.9 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.89 -38.49 91.16 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -70.01 -39.28 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 p -67.56 -22.82 65.38 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.977 0.808 . . . . 25.0 111.491 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -23.5 64.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 174.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.77 -0.62 70.67 Favored Glycine 0 C--O 1.238 0.393 0 CA-C-N 116.538 -0.301 . . . . 25.0 113.311 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.14 132.58 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -89.39 84.36 6.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.558 -0.747 . . . . 25.0 109.486 -174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.59 156.84 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.638 0.732 . . . . 25.0 109.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -86.64 138.05 31.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 25.0 109.364 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -49.5 66.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.779 0.323 . . . . 25.0 111.806 177.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.91 66.64 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.037 -0.528 . . . . 25.0 112.41 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -85.96 -38.55 17.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -54.68 18.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.451 -0.499 . . . . 25.0 110.809 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.06 -19.97 63.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -33.82 76.22 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.556 -0.715 . . . . 25.0 109.785 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -75.93 -24.77 55.53 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.734 -0.604 . . . . 25.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.45 -32.08 71.84 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.27 -32.16 60.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.899 -0.501 . . . . 25.0 110.182 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.47 -29.64 69.8 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.296 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.58 -50.81 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 173.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -37.96 89.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.129 -0.941 . . . . 25.0 109.627 -172.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.36 -47.24 77.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.584 -0.735 . . . . 25.0 112.309 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -82.22 -27.39 32.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.464 0.65 . . . . 25.0 112.291 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.5 78.55 62.3 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 122.944 0.498 . . . . 25.0 110.192 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.88 -19.04 40.96 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-O 121.477 0.532 . . . . 25.0 113.319 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -18.8 58.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -68.74 -52.21 18.86 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 121.496 -0.753 . . . . 25.0 112.201 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.93 -23.54 29.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 114.664 -3.091 . . . . 25.0 114.471 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.53 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 25.0 111.504 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.89 -10.6 59.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.58 25.12 34.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 117.688 1.835 . . . . 25.0 117.688 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -133.66 136.96 45.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.821 0.811 . . . . 25.0 110.282 -174.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' HB ' HG13 ' A' ' 103' ' ' VAL . 45.1 mm -111.69 111.58 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.965 1.364 . . . . 25.0 110.221 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -155.63 159.62 39.76 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.332 -1.304 . . . . 25.0 110.916 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.18 -29.92 46.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 111.812 0.301 . . . . 25.0 111.812 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -61.81 -33.44 74.13 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -85.29 -38.43 18.85 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.309 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -64.9 -30.7 71.71 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.14 -40.57 96.4 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.228 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -62.82 -25.53 68.3 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.38 -39.77 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.7 63.49 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -61.0 -38.95 87.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.9 -45.88 84.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.846 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.14 -38.96 93.26 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.91 -42.58 89.98 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.956 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.96 -45.63 84.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.569 0.699 . . . . 25.0 110.665 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.84 -36.14 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.97 -38.53 88.81 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.122 -0.362 . . . . 25.0 110.79 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.16 -35.24 76.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.096 0.474 . . . . 25.0 109.908 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.4 m -73.56 -43.27 60.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.16 1.31 7.16 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 -169.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.61 178.99 52.1 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 117.951 1.94 . . . . 25.0 117.951 172.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.69 -9.64 25.26 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.374 2.716 . . . . 25.0 115.147 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -83.34 -3.99 58.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.38 0.609 . . . . 25.0 111.305 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -123.9 -40.02 2.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.4 -0.818 . . . . 25.0 110.841 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.34 131.13 24.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 103.553 -2.758 . . . . 25.0 103.553 164.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.2 155.95 11.07 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 115.425 -2.583 . . . . 25.0 112.714 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -22.68 30.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 121.87 -0.519 . . . . 25.0 111.523 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -70.77 -23.1 62.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.531 -0.731 . . . . 25.0 111.008 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.84 85.55 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 120.021 -0.672 . . . . 25.0 110.247 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -71.14 -31.39 67.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.418 0.627 . . . . 25.0 111.138 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -71.79 -44.72 63.49 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.83 -42.29 95.05 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.555 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -58.47 -39.85 81.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.935 0.398 . . . . 25.0 111.535 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.7 -31.87 73.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 122.416 0.286 . . . . 25.0 111.142 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.93 -40.45 97.67 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.132 0.491 . . . . 25.0 110.028 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.3 -28.37 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.314 -0.555 . . . . 25.0 109.514 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.56 -46.61 86.53 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 122.071 -0.393 . . . . 25.0 110.039 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.26 -27.95 61.86 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.684 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.85 -41.12 83.42 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.187 -0.32 . . . . 25.0 111.7 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -77.4 -40.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.64 -0.424 . . . . 25.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.58 -36.02 79.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.238 0.542 . . . . 25.0 109.715 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -110.6 37.34 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.763 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -62.52 -22.44 66.29 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 120.907 0.384 . . . . 25.0 110.573 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.61 -34.27 69.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.66 9.25 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.526 0.679 . . . . 25.0 110.532 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -124.85 78.27 65.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -66.75 -19.77 53.03 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 116.881 -1.613 . . . . 25.0 114.654 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -66.32 -41.23 89.96 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -27.92 6.68 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.537 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.195 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 tpt -61.43 -41.69 97.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.978 0.808 . . . . 25.0 110.271 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.76 -25.54 66.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.429 -0.794 . . . . 25.0 110.556 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.1 46.5 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 51' ' ' ILE . 54.1 t -60.47 -51.15 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 175.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.245 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.31 -42.43 99.01 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.875 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.7 m -61.92 -41.91 98.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.61 -50.38 73.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.336 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.67 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.92 -22.34 65.96 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 179.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.244 0 CA-C-O 120.971 0.206 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -65.72 -37.98 87.93 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 122.458 -0.437 . . . . 25.0 111.491 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -75.26 -35.88 61.31 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -39.36 90.86 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.77 -0.581 . . . . 25.0 110.289 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -62.36 -32.36 73.14 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 171.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.71 -26.78 55.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.694 0.759 . . . . 25.0 110.236 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 79.74 8.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.31 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.75 -31.91 28.57 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.0 -28.73 70.3 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.383 -0.823 . . . . 25.0 112.936 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CE2' HD22 ' A' ' 15' ' ' LEU . 32.2 t80 -87.5 -36.8 17.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.0 -32.55 47.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -51.53 -49.05 62.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.169 0.588 . . . . 25.0 111.807 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -79.1 -36.02 41.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.802 0.334 . . . . 25.0 111.318 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 11' ' ' TYR . 24.9 tp -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.745 -0.597 . . . . 25.0 112.251 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -63.78 -39.23 93.76 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -69.04 -43.64 74.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.41 90.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.56 -40.56 95.16 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -66.43 -43.1 86.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -23.17 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.924 0.329 . . . . 25.0 111.383 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -71.05 -24.22 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.74 11.9 84.96 Favored Glycine 0 CA--C 1.511 -0.173 0 N-CA-C 111.381 -0.688 . . . . 25.0 111.381 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -84.56 145.98 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -115.43 84.39 2.09 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -134.76 135.29 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 104.45 -2.426 . . . . 25.0 104.45 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -64.86 146.31 55.06 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -43.88 72.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.527 1.306 . . . . 25.0 114.527 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.84 69.57 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.139 0.495 . . . . 25.0 111.579 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.31 -40.23 37.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.42 -55.39 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.452 0.644 . . . . 25.0 109.385 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.36 -19.85 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -65.31 -32.29 73.86 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.904 -1.123 . . . . 25.0 110.127 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -74.03 -23.85 59.47 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.339 -0.851 . . . . 25.0 110.984 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.46 -30.94 66.59 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.8 -33.11 71.92 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.6 -0.687 . . . . 25.0 109.926 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -64.17 -31.67 72.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 25.0 110.687 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.08 -48.94 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.237 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.51 -40.74 95.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.34 -0.846 . . . . 25.0 110.49 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -47.5 44.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.554 0.692 . . . . 25.0 111.072 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.4 m -124.73 80.16 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.203 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.47 -17.72 34.15 Favored 'Trans proline' 0 C--N 1.346 0.398 0 CA-C-O 121.725 0.635 . . . . 25.0 111.647 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -16.4 56.9 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.397 -0.819 . . . . 25.0 111.839 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.62 -50.62 35.04 Favored Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 120.885 -1.134 . . . . 25.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.9 -21.73 37.25 Favored 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 113.162 -4.092 . . . . 25.0 112.91 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -68.02 -36.15 79.46 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.474 0.31 . . . . 25.0 111.374 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.72 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.48 15.52 39.7 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 115.13 0.812 . . . . 25.0 115.13 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -133.51 135.66 44.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -124.0 102.77 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.723 1.249 . . . . 25.0 110.092 -172.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -140.44 162.93 34.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.87 -27.53 42.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -62.56 -42.7 99.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.725 -0.609 . . . . 25.0 110.722 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -83.01 -29.5 28.85 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.998 0.428 . . . . 25.0 110.341 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -65.62 -32.86 74.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.865 0.364 . . . . 25.0 110.204 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.81 -39.97 95.94 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 119.098 -0.477 . . . . 25.0 111.404 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -56.12 -32.28 64.08 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.31 -42.77 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.332 0.587 . . . . 25.0 110.609 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.7 -34.15 59.89 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.418 -0.896 . . . . 25.0 111.481 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -40.07 95.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.6 -44.7 93.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.518 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -62.34 -36.5 82.41 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.716 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.54 -43.11 81.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 25.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -36.63 84.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.747 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -68.11 -38.44 82.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.34 . . . . 25.0 110.602 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.61 -38.58 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.988 0.423 . . . . 25.0 110.581 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -76.91 -42.23 40.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.975 0.732 . . . . 25.0 112.975 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -112.84 -4.22 14.03 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 177.64 51.89 Favored Glycine 0 C--O 1.243 0.664 0 N-CA-C 115.114 0.806 . . . . 25.0 115.114 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.88 -5.28 16.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.889 2.393 . . . . 25.0 113.82 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.3 -25.69 60.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.271 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -107.76 -33.45 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.103 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.84 130.88 24.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 105.486 -2.042 . . . . 25.0 105.486 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -81.29 155.14 19.08 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 115.765 -2.357 . . . . 25.0 111.423 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.38 -20.73 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 121.664 -0.647 . . . . 25.0 110.659 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -75.27 -17.75 60.24 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.751 -0.593 . . . . 25.0 111.409 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.55 79.41 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.689 -0.632 . . . . 25.0 109.553 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -71.67 -30.06 65.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.127 0.489 . . . . 25.0 111.289 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -72.62 -44.55 61.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -62.87 -41.73 99.5 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.776 -0.647 . . . . 25.0 109.737 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.64 -38.96 86.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.977 0.417 . . . . 25.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 6.4 m-80 -65.28 -29.44 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.497 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.3 -43.54 94.42 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.52 -30.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.397 -0.815 . . . . 25.0 108.968 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 2.8 tttp -58.14 -43.74 87.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 118.705 -0.664 . . . . 25.0 110.031 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.55 -28.87 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.319 0.963 . . . . 25.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.41 -41.88 93.12 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.332 -0.248 . . . . 25.0 110.332 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.75 -42.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.77 -36.83 72.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.078 0.551 . . . . 25.0 109.832 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -117.05 34.69 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.522 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -64.74 -22.73 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.561 0.695 . . . . 25.0 109.754 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.83 -29.52 66.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.31 9.72 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.372 0.606 . . . . 25.0 110.748 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -125.58 81.15 65.18 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.17 -24.25 59.17 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 116.953 -1.565 . . . . 25.0 115.334 -174.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.01 -39.26 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.83 -27.77 6.7 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 C-N-CA 120.029 -0.668 . . . . 25.0 110.629 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.31 75.18 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.51 -30.68 63.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.63 -47.99 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.31 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.232 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.52 -38.28 90.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.3 m -67.48 -38.93 85.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -62.13 -42.14 98.95 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.104 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.47 -43.96 93.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.964 0.411 . . . . 25.0 110.442 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.11 -42.87 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.895 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -38.67 90.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.935 0.397 . . . . 25.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.6 mttt . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.269 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.84 -36.74 84.32 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.466 -0.432 . . . . 25.0 111.866 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -76.66 -29.36 56.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.095 -0.378 . . . . 25.0 110.187 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.94 -33.55 76.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.825 -0.547 . . . . 25.0 111.47 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -74.19 -3.83 32.19 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -116.56 -13.29 10.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.219 0.533 . . . . 25.0 110.36 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -78.34 98.4 5.95 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -46.81 -43.21 18.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -65.49 -33.57 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.191 0.812 . . . . 25.0 113.191 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -72.87 -42.32 63.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.98 -31.02 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.94 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.31 -52.39 65.46 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.66 -0.65 . . . . 25.0 111.263 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -69.39 -42.25 75.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.572 0.701 . . . . 25.0 111.468 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.81 -23.4 66.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -36.34 60.34 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.36 -47.75 11.95 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.141 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.35 70.42 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.141 1.163 . . . . 25.0 114.141 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.92 -39.79 90.73 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.02 -36.21 23.3 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.955 1.465 . . . . 25.0 114.955 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -66.34 -19.49 65.82 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -73.31 -17.15 61.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.994 0.426 . . . . 25.0 110.535 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.43 -4.54 72.3 Favored Glycine 0 C--O 1.238 0.37 0 CA-C-O 121.199 0.333 . . . . 25.0 113.003 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -89.37 130.88 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -88.65 84.29 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 m -131.41 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 110.607 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -90.82 161.43 15.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.95 -37.59 74.41 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 122.19 -0.319 . . . . 25.0 110.462 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.21 86.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 25.0 109.999 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.47 -40.51 80.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.2 tp -75.93 -54.27 7.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.14 0.792 . . . . 25.0 113.14 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.54 -20.02 66.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.62 -40.63 65.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.112 0.482 . . . . 25.0 110.076 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.71 -23.86 42.07 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.082 0.401 . . . . 25.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.08 -31.24 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.39 -21.21 39.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.98 0.419 . . . . 25.0 111.484 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.34 -26.92 65.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.182 0.515 . . . . 25.0 109.984 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.15 -45.4 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.09 -42.26 99.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.823 -1.08 . . . . 25.0 112.417 -168.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.87 -36.88 64.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 25.0 112.04 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -79.09 -37.23 39.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.526 0.679 . . . . 25.0 110.65 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.2 79.08 59.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.534 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.72 -14.89 30.23 Favored 'Trans proline' 0 C--N 1.344 0.316 0 CA-C-O 121.732 0.638 . . . . 25.0 111.926 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -14.66 47.92 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.635 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.66 -49.7 38.6 Favored Pre-proline 0 CA--C 1.536 0.438 0 O-C-N 121.104 -0.997 . . . . 25.0 112.082 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.7 -20.09 40.71 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 112.951 -4.233 . . . . 25.0 113.146 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.13 -26.88 65.11 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.68 0.392 . . . . 25.0 111.501 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.22 -19.26 63.16 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.103 -0.373 . . . . 25.0 110.162 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.21 15.74 38.75 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 116.316 1.286 . . . . 25.0 116.316 174.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 m -134.73 135.39 41.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.6 0.7 . . . . 25.0 110.231 -174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG13 ' HB ' ' A' ' 106' ' ' THR . 49.3 mm -107.76 111.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.673 1.225 . . . . 25.0 108.724 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -151.71 154.76 36.94 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.5 tp -68.58 -29.82 45.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.68 -0.691 . . . . 25.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -65.83 -34.17 77.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -83.54 -37.25 23.26 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.208 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -64.07 -30.33 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.707 0.289 . . . . 25.0 111.429 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.92 -42.24 97.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.28 -0.263 . . . . 25.0 110.418 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -55.95 -31.3 62.84 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.27 -40.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 25.0 109.537 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.43 -35.2 59.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -43.71 92.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.45 178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -62.41 -39.16 92.38 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.09 -39.63 82.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.684 0.278 . . . . 25.0 110.977 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -62.99 -47.46 83.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.77 0.795 . . . . 25.0 109.285 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -37.23 86.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.747 -0.661 . . . . 25.0 110.051 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -67.55 -36.41 80.91 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.27 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.428 -0.795 . . . . 25.0 110.186 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -69.61 -41.97 75.01 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.24 2.44 8.51 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.898 1.814 . . . . 25.0 115.898 -172.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.4 -175.27 54.84 Favored Glycine 0 C--O 1.242 0.623 0 C-N-CA 120.539 -0.839 . . . . 25.0 114.87 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.08 -5.5 17.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 121.862 1.708 . . . . 25.0 114.748 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.44 -6.4 53.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.582 . . . . 25.0 112.538 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -117.47 -36.11 3.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.763 -0.653 . . . . 25.0 112.6 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.39 130.89 24.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.53 158.32 14.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 117.152 -1.432 . . . . 25.0 112.137 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.28 -23.33 32.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.708 -0.62 . . . . 25.0 111.426 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -72.3 -21.23 61.37 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.53 -0.731 . . . . 25.0 111.231 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.21 86.85 Favored 'General case' 0 C--O 1.218 -0.583 0 C-N-CA 119.684 -0.806 . . . . 25.0 109.015 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -71.67 -32.1 67.5 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.011 0.434 . . . . 25.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.1 t -69.21 -46.98 66.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.77 -44.43 96.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -59.51 -40.48 87.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.45 -31.39 72.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 25.0 110.819 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.587 0.708 . . . . 25.0 109.745 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.72 -30.67 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.5 -46.13 89.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.89 -0.506 . . . . 25.0 110.004 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.2 -26.76 60.45 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.853 -0.739 . . . . 25.0 110.54 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.46 -40.89 89.63 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.043 -0.411 . . . . 25.0 111.437 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.9 mt -75.75 -41.72 40.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.27 -35.69 77.99 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.112 0.482 . . . . 25.0 109.862 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 44.1 mmtt -112.15 38.9 2.56 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.474 0.654 . . . . 25.0 112.481 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -62.99 -21.59 66.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.288 -0.869 . . . . 25.0 109.721 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.89 0.876 . . . . 25.0 113.244 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -114.19 9.07 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.657 0.741 . . . . 25.0 110.346 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -123.87 78.76 57.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.285 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.39 -17.79 54.22 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 116.746 -1.703 . . . . 25.0 113.141 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.8 -44.57 92.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.88 -25.22 6.97 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.18 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.575 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.48 -38.74 88.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.861 -0.524 . . . . 25.0 110.268 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.29 68.33 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.862 -0.524 . . . . 25.0 110.573 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.81 -29.98 50.94 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.58 -49.83 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.24 86.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.845 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.7 -35.62 81.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.4 m -63.34 -40.75 98.17 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.22 -40.27 95.56 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.211 -0.596 . . . . 25.0 112.091 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.45 -45.65 91.0 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 25.0 109.843 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.43 -41.11 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.459 -0.791 . . . . 25.0 109.735 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.69 -38.97 90.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.088 -0.383 . . . . 25.0 111.813 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.4 mttt . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 120.646 0.26 . . . . 25.0 111.685 -179.557 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.33 0 N-CA-C 111.126 -0.789 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.79 -35.66 81.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.032 0.444 . . . . 25.0 110.722 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.37 -40.95 81.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.318 0.58 . . . . 25.0 109.896 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.9 -37.07 86.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.3 65.26 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -89.35 -20.85 23.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.152 0.501 . . . . 25.0 110.77 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 90.0 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -50.37 -36.34 32.07 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.065 1.506 . . . . 25.0 115.065 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -65.38 -29.94 70.71 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.449 -0.782 . . . . 25.0 111.645 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -79.55 -40.45 29.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 25.0 109.18 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.38 -39.83 70.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.093 -0.958 . . . . 25.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -57.3 -45.75 83.84 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.007 0.821 . . . . 25.0 112.634 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -66.96 -37.83 85.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 25.0 109.635 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -29.05 68.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.713 0.635 . . . . 25.0 112.713 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -59.99 -41.8 92.84 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.98 -45.18 59.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.355 -0.838 . . . . 25.0 110.082 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.92 99.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -40.43 96.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.68 -41.46 75.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 p -65.65 -23.62 66.84 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -73.18 -20.67 60.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.052 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.23 23.99 69.77 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 121.027 -0.606 . . . . 25.0 113.495 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.66 142.27 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.442 0.639 . . . . 25.0 109.914 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -81.23 84.44 6.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.785 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.17 128.62 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.13 140.57 48.91 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -49.07 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.34 72.57 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.373 -0.376 . . . . 25.0 111.309 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.73 58.35 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 121.185 -0.206 . . . . 25.0 111.113 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.99 -53.06 19.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.53 0.681 . . . . 25.0 109.419 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.56 -20.35 66.29 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -59.44 -40.21 86.06 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 109.889 173.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -76.51 -23.82 53.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.694 -0.629 . . . . 25.0 111.827 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.79 -30.28 68.82 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.76 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.127 -0.358 . . . . 25.0 110.067 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.87 -30.67 71.31 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.721 0.296 . . . . 25.0 110.69 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -64.42 -36.95 85.83 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.595 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.07 -57.44 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 -26.17 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.554 0.692 . . . . 25.0 112.176 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.6 m -127.84 77.34 76.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.44 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.62 -16.02 33.91 Favored 'Trans proline' 0 C--N 1.346 0.422 0 CA-C-O 121.608 0.587 . . . . 25.0 112.384 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -14.09 59.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.041 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -66.72 -52.32 34.53 Favored Pre-proline 0 CA--C 1.543 0.69 0 O-C-N 121.411 -0.805 . . . . 25.0 111.487 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -21.06 37.67 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.608 -3.795 . . . . 25.0 113.837 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.81 -37.56 86.59 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.172 0.189 . . . . 25.0 111.14 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.964 0.411 . . . . 25.0 109.95 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 17.44 49.17 Favored Glycine 0 C--O 1.227 -0.281 0 CA-C-N 116.102 -0.499 . . . . 25.0 113.848 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 m -126.86 122.35 34.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -117.66 102.53 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.738 1.256 . . . . 25.0 109.774 -171.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -141.61 165.59 27.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.74 -28.26 44.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.512 0.196 . . . . 25.0 110.717 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.92 -37.69 88.32 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.949 -0.469 . . . . 25.0 110.687 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.53 -39.84 44.66 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.874 0.368 . . . . 25.0 110.23 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -64.02 -31.7 72.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.967 0.413 . . . . 25.0 112.106 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.77 -41.82 98.19 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.292 -0.385 . . . . 25.0 110.644 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -57.32 -32.92 67.18 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.264 0.468 . . . . 25.0 112.264 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.54 -40.82 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.471 0.653 . . . . 25.0 109.755 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.06 53.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.431 -0.89 . . . . 25.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.89 -39.93 95.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.42 -46.43 88.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.272 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.5 -39.28 92.99 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -66.24 -44.48 83.61 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.457 -0.097 . . . . 25.0 111.126 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.22 -47.84 80.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.84 -32.27 73.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.769 0.318 . . . . 25.0 111.385 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -67.77 -48.32 66.69 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.733 -0.212 . . . . 25.0 111.069 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.37 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.172 0.511 . . . . 25.0 112.339 -173.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.2 m -56.35 -38.26 71.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.317 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -127.22 -48.11 1.46 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.77 -170.2 24.08 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 109.82 -1.312 . . . . 25.0 109.82 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.82 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.757 1.638 . . . . 25.0 114.45 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -70.73 -28.67 64.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -89.32 -39.73 13.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.28 130.87 22.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 78' ' ' THR . 72.4 Cg_endo -75.53 147.46 32.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 115.208 -2.728 . . . . 25.0 112.912 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.57 -22.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.954 -0.466 . . . . 25.0 111.759 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 76' ' ' PRO . 3.5 t -70.04 -23.28 63.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.548 -0.72 . . . . 25.0 111.17 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.17 86.66 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 119.763 -0.775 . . . . 25.0 109.892 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -70.97 -32.95 69.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.343 0.592 . . . . 25.0 110.705 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -66.89 -46.15 75.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.97 -40.41 91.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.912 -0.586 . . . . 25.0 110.663 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.76 -37.15 75.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.772 0.32 . . . . 25.0 110.938 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -67.96 -24.38 65.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 tt -70.32 -45.19 66.7 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.69 -29.1 25.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.603 0.716 . . . . 25.0 109.663 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -56.27 -52.13 65.63 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.467 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.21 -30.55 69.65 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.573 0.624 . . . . 25.0 111.238 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.49 -45.31 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 25.0 111.682 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.6 mt -80.31 -39.78 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.634 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.31 -32.33 68.37 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.485 0.314 . . . . 25.0 111.842 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -124.46 35.57 4.78 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.617 0.722 . . . . 25.0 111.886 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -57.77 -34.85 70.01 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.463 -0.789 . . . . 25.0 111.621 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.56 -17.93 64.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.38 9.56 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.327 0.584 . . . . 25.0 110.019 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -134.72 85.69 35.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.229 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.69 -20.25 46.77 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.22 -1.386 . . . . 25.0 114.744 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.57 -43.24 90.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 m -84.91 -28.39 6.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.793 -0.639 . . . . 25.0 110.622 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -37.41 87.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 25.0 110.237 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.0 -33.0 73.53 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.833 0.349 . . . . 25.0 110.191 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.36 -32.65 55.17 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.27 -48.35 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.68 95.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.946 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.24 -37.76 88.51 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.882 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.4 m -63.66 -42.63 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -60.7 -45.06 95.66 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.384 -0.526 . . . . 25.0 110.241 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -65.81 -38.95 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.25 -43.04 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.32 -42.49 92.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.352 . . . . 25.0 110.08 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.4 mttt . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.054 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 111.784 -0.526 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -67.84 -28.41 67.53 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.422 -0.458 . . . . 25.0 112.045 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -73.91 -46.37 44.85 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -53.81 -35.33 61.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 -17.65 61.85 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -101.32 -17.91 16.32 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.54 0.686 . . . . 25.0 110.665 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -76.3 81.75 3.06 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -49.31 -32.41 11.0 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 115.921 1.822 . . . . 25.0 115.921 -170.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.75 71.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.364 -0.835 . . . . 25.0 111.905 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -78.21 -44.21 26.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.92 -32.01 51.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-N 114.74 -1.118 . . . . 25.0 111.298 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.98 -46.3 71.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.86 0.755 . . . . 25.0 111.375 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -77.85 -39.69 42.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.384 0.611 . . . . 25.0 110.686 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.51 -24.84 66.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -64.76 -37.02 86.2 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.42 -38.24 35.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.804 -0.634 . . . . 25.0 109.58 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.14 86.45 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.9 -41.49 96.17 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.75 -49.26 71.48 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.477 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -73.15 -19.54 61.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.116 -0.365 . . . . 25.0 111.863 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.474 HH11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -74.59 -24.37 58.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.389 -0.596 . . . . 25.0 109.389 175.465 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.08 10.85 85.92 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 111.693 -0.563 . . . . 25.0 111.693 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.79 114.62 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.203 1.001 . . . . 25.0 109.046 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -86.21 84.42 7.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.866 -175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.61 158.7 37.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.681 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -77.77 148.59 34.74 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 104.601 -2.37 . . . . 25.0 104.601 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -43.78 84.18 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.771 -0.58 . . . . 25.0 111.692 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.97 74.07 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.127 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -73.2 -45.67 54.93 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.71 -51.55 67.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.819 0.818 . . . . 25.0 110.137 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.95 -19.89 65.8 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -62.46 -30.71 71.44 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.099 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -76.05 -23.79 55.12 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.271 -0.893 . . . . 25.0 111.543 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -73.99 -17.73 60.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.94 -35.13 22.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.466 0.651 . . . . 25.0 109.915 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -64.34 -36.89 85.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -35.14 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 122.232 -0.293 . . . . 25.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.44 -39.84 88.95 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.7 -40.89 72.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.108 0.48 . . . . 25.0 111.424 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -73.97 -33.03 63.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.639 0.733 . . . . 25.0 110.123 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.03 76.17 40.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.39 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.45 -11.17 29.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.273 -0.685 . . . . 25.0 112.106 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 -10.82 48.35 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.345 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.2 -48.16 77.28 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 121.443 -0.786 . . . . 25.0 112.026 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.24 -17.71 39.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 113.74 -3.706 . . . . 25.0 113.802 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -71.74 -32.31 67.6 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.09 -25.72 63.65 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.1 13.2 19.19 Favored Glycine 0 C--O 1.223 -0.575 0 N-CA-C 116.769 1.468 . . . . 25.0 116.769 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.727 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 34.2 m -132.3 136.75 47.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.494 0.647 . . . . 25.0 109.789 -171.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.411 HG13 ' HB ' ' A' ' 106' ' ' THR . 48.5 mm -105.65 111.74 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.713 1.244 . . . . 25.0 108.73 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -149.88 162.64 39.93 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.19 -29.68 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 116.165 -0.471 . . . . 25.0 110.634 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -65.18 -39.1 92.45 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.509 -0.745 . . . . 25.0 109.708 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.727 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 1.9 mpt_? -70.79 -40.85 72.31 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.173 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -70.33 -32.48 70.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -64.97 -40.6 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.673 -0.642 . . . . 25.0 109.61 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -56.53 -28.39 59.85 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.27 -39.47 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.398 0.618 . . . . 25.0 109.538 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -36.41 77.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.786 -0.926 . . . . 25.0 110.786 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.69 -40.39 96.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.77 95.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.893 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.93 -41.7 98.26 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -67.06 -38.69 86.24 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.999 -0.28 . . . . 25.0 111.009 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.66 -44.52 93.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.895 0.855 . . . . 25.0 110.883 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -31.52 69.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.681 -0.691 . . . . 25.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -68.14 -41.35 81.76 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.804 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.28 -28.73 68.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.85 -0.531 . . . . 25.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.1 m -72.34 -36.78 68.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.25 -13.29 5.6 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.87 1.804 . . . . 25.0 115.87 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.04 -169.31 32.05 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 111.184 -0.766 . . . . 25.0 111.184 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.33 -3.64 13.36 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.624 1.55 . . . . 25.0 115.488 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.29 -22.17 63.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.135 -0.353 . . . . 25.0 110.937 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -101.28 -38.46 8.06 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 114.206 1.187 . . . . 25.0 114.206 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.63 130.95 23.61 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.3 157.84 17.24 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 116.306 -1.996 . . . . 25.0 111.841 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.68 -23.09 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.867 -0.521 . . . . 25.0 111.394 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -71.1 -23.78 62.17 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.654 -0.654 . . . . 25.0 111.319 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.75 84.44 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.859 -0.736 . . . . 25.0 109.953 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.24 -31.11 67.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.425 0.631 . . . . 25.0 110.261 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -70.43 -47.88 58.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.15 -40.14 96.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.009 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -58.35 -39.45 79.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.689 0.28 . . . . 25.0 111.006 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.14 -28.59 68.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.533 -0.303 . . . . 25.0 111.67 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HH11 ' A' ' 22' ' ' ARG . 2.6 tt -66.93 -40.32 87.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.185 0.517 . . . . 25.0 110.305 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.36 -30.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 25.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.9 -52.5 64.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.077 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.18 -28.37 67.22 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.288 -0.565 . . . . 25.0 111.054 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.14 -39.88 93.63 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.098 -0.376 . . . . 25.0 111.208 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.2 mt -77.69 -40.81 28.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -35.3 73.02 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.365 0.602 . . . . 25.0 109.407 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -113.13 34.46 4.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 25.0 112.112 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -66.0 -19.61 65.92 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.15 0.5 . . . . 25.0 110.318 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.7 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.795 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.91 8.55 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.527 0.68 . . . . 25.0 110.196 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -124.46 79.88 60.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -66.33 -19.64 55.71 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.509 -1.194 . . . . 25.0 114.523 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -65.26 -46.59 79.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 p -79.76 -28.21 12.69 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.306 0 C-N-CA 119.878 -0.729 . . . . 25.0 110.059 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.6 tpt -60.54 -39.41 87.81 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.663 0.665 . . . . 25.0 110.721 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.52 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.312 -0.868 . . . . 25.0 110.645 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 -30.49 46.06 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -47.48 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.93 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.53 -37.1 84.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.7 m -61.06 -42.61 98.81 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.65 -38.57 78.41 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.7 -44.52 93.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.771 0.795 . . . . 25.0 109.403 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.76 -34.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 25.0 109.996 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.31 -35.94 80.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.961 -0.462 . . . . 25.0 111.367 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm . . . . . 0 N--CA 1.474 0.772 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.547 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.207 0 N-CA-C 110.182 -1.167 . . . . 25.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.17 -35.6 80.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.331 -0.511 . . . . 25.0 110.248 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -33.99 74.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.97 -37.19 85.36 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 25.0 109.978 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -71.61 -17.01 62.3 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 175.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -95.73 -21.29 18.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 25.0 109.888 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -82.24 100.77 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.26 -40.61 64.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -40.84 93.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.989 0.423 . . . . 25.0 111.735 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.34 -45.03 61.69 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.88 -41.43 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.128 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.28 -43.14 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.126 0.417 . . . . 25.0 112.126 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -37.93 57.81 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -23.49 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.63 -40.54 72.29 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.76 -34.58 30.34 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.353 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.87 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.34 -41.15 98.85 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -68.5 -42.4 78.65 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 t -69.79 -15.88 63.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.752 0.31 . . . . 25.0 111.463 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -21.52 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.277 -0.264 . . . . 25.0 110.764 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -2.86 71.17 Favored Glycine 0 C--O 1.235 0.217 0 CA-C-O 121.399 0.444 . . . . 25.0 112.263 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.01 124.53 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -85.85 84.4 7.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.87 148.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.175 0.512 . . . . 25.0 109.981 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.31 136.85 44.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -48.75 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 25.0 111.52 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.12 75.39 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.045 -0.525 . . . . 25.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.35 -40.87 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.281 -0.168 . . . . 25.0 110.754 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.46 -52.77 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.429 0.633 . . . . 25.0 109.551 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.71 -22.59 66.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -30.25 71.36 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.893 -0.504 . . . . 25.0 110.566 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.65 -27.06 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.77 -0.581 . . . . 25.0 111.556 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -73.68 -27.75 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.222 -0.591 . . . . 25.0 110.143 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.25 -21.44 56.35 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.854 0.359 . . . . 25.0 110.35 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.62 -37.4 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.714 0.292 . . . . 25.0 110.877 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -26.77 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.934 -0.479 . . . . 25.0 110.336 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.68 -39.44 91.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.588 . . . . 25.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.44 -52.37 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.226 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -73.09 -25.85 61.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.56 76.16 78.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.0 -14.64 32.29 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 CA-C-O 121.684 0.618 . . . . 25.0 112.295 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -13.02 54.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.059 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -65.65 -51.15 51.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 121.569 -0.707 . . . . 25.0 111.374 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -70.38 -20.67 31.6 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 113.962 -3.559 . . . . 25.0 113.784 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -66.14 -43.54 86.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.93 -37.12 85.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.52 33.23 75.76 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.78 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.41 ' HB ' HH11 ' A' ' 55' ' ' ARG . 88.2 m -129.5 132.14 46.82 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.434 HG13 ' HB ' ' A' ' 106' ' ' THR . 47.1 mm -111.24 107.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 123.218 1.485 . . . . 25.0 110.655 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -155.1 164.49 38.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.529 -1.669 . . . . 25.0 108.033 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.25 -28.63 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.479 -0.328 . . . . 25.0 110.464 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.24 -38.4 86.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.05 0.452 . . . . 25.0 109.891 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.0 OUTLIER -78.0 -41.15 36.81 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.004 -0.544 . . . . 25.0 110.207 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -64.77 -31.05 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -62.63 -41.67 99.16 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.027 -0.421 . . . . 25.0 111.459 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -56.69 -31.36 64.39 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -39.42 82.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.484 0.659 . . . . 25.0 109.662 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.53 -35.83 62.77 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.466 -0.873 . . . . 25.0 110.959 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -62.63 -39.41 93.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -45.0 92.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 25.0 111.635 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -64.04 -37.63 88.15 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.306 -0.558 . . . . 25.0 109.731 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -64.31 -42.4 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.511 0.196 . . . . 25.0 110.668 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.55 -47.57 75.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.879 0.847 . . . . 25.0 110.31 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -37.3 80.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.016 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.66 -39.6 73.51 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.421 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -32.95 70.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.261 -0.899 . . . . 25.0 110.189 -177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 m -66.19 -41.21 90.52 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -125.75 1.9 7.46 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.427 2.01 . . . . 25.0 116.427 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.29 -173.76 55.13 Favored Glycine 0 C--O 1.244 0.725 0 O-C-N 121.721 -0.612 . . . . 25.0 114.472 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.09 -9.69 26.05 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.777 1.652 . . . . 25.0 113.736 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.76 -19.63 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 25.0 110.41 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -106.84 -44.48 4.42 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.48 130.87 24.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.988 -1.856 . . . . 25.0 105.988 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HB2' HG22 ' A' ' 78' ' ' THR . 92.8 Cg_endo -82.05 152.05 16.37 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 115.055 -2.83 . . . . 25.0 112.831 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.35 -20.75 27.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.856 -0.527 . . . . 25.0 111.443 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 76' ' ' PRO . 11.0 t -70.97 -23.58 62.24 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.533 -0.73 . . . . 25.0 111.061 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.06 86.34 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 119.865 -0.734 . . . . 25.0 109.309 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.91 -32.94 67.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 25.0 110.68 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -46.3 73.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.415 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.2 m-85 -64.61 -43.5 93.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.891 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -56.57 -38.29 71.76 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.237 -0.289 . . . . 25.0 111.033 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -69.2 -32.01 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.854 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.56 -41.92 98.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 82' ' ' TYR . 4.1 mp -79.77 -30.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 121.879 -0.513 . . . . 25.0 110.047 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -56.07 -49.92 72.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.881 -0.512 . . . . 25.0 109.973 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.98 -28.47 64.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.15 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.88 -43.46 88.26 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.173 -0.329 . . . . 25.0 110.967 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.91 -39.3 37.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 120.851 0.358 . . . . 25.0 110.3 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.06 -35.7 79.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.82 38.9 2.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.418 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -59.3 -24.28 63.15 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.008 0.432 . . . . 25.0 111.682 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.89 -42.37 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.747 0.819 . . . . 25.0 112.824 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.3 9.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.351 0.596 . . . . 25.0 110.784 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -124.6 77.87 63.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -66.92 -18.17 52.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.17 -1.42 . . . . 25.0 114.509 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -67.59 -48.5 66.66 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -26.0 21.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.366 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -37.2 86.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 25.0 109.697 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.86 -28.85 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 25.0 110.285 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.36 -28.39 47.12 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.861 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.72 -53.26 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.73 87.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.038 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.41 -38.84 92.69 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.725 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.434 ' HB ' HG13 ' A' ' 51' ' ' ILE . 27.1 m -67.19 -42.78 83.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.99 -43.68 91.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.384 -0.198 . . . . 25.0 110.972 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.53 -40.86 98.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.245 -0.284 . . . . 25.0 111.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.32 -41.56 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.31 -37.74 88.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.118 -0.364 . . . . 25.0 110.816 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.111 0 CA-C-O 120.019 -0.323 . . . . 25.0 113.792 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -62.11 -45.19 94.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.576 0.688 . . . . 25.0 110.886 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.39 -26.08 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.856 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.85 -40.33 94.98 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.018 -0.426 . . . . 25.0 110.698 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -66.6 -15.57 63.55 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.6 -15.82 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.82 0.343 . . . . 25.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -83.63 90.52 7.28 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -48.87 -36.65 17.5 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.315 1.968 . . . . 25.0 116.315 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -60.3 -45.47 93.27 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.06 0.933 . . . . 25.0 110.736 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -70.59 -42.62 70.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.421 -1.263 . . . . 25.0 109.799 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.99 -37.91 50.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.127 -0.942 . . . . 25.0 110.985 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -58.52 -41.81 86.3 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.808 1.186 . . . . 25.0 113.278 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.472 -0.767 . . . . 25.0 110.889 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -29.67 69.93 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.168 0.509 . . . . 25.0 111.023 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.8 -41.79 98.18 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.595 0.758 . . . . 25.0 109.921 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -71.18 -39.04 72.1 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.32 93.0 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.13 -41.51 98.32 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -66.6 -43.08 85.79 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 t -73.6 -20.46 60.6 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.529 -0.468 . . . . 25.0 111.345 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -79.04 -25.67 43.2 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.96 11.0 81.31 Favored Glycine 0 C--O 1.238 0.353 0 CA-C-O 121.579 0.544 . . . . 25.0 111.779 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.43 130.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.539 0.685 . . . . 25.0 109.538 -175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -96.77 84.59 3.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.6 t -144.47 142.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -65.95 140.58 58.33 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -49.46 68.27 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.12 73.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.696 0.284 . . . . 25.0 111.479 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.62 -38.2 70.83 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.25 -51.74 66.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.766 0.793 . . . . 25.0 108.929 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.08 -20.55 65.83 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.499 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -66.02 -31.67 72.7 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.079 -1.013 . . . . 25.0 110.411 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -77.33 -23.85 50.87 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.291 -0.88 . . . . 25.0 111.456 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.82 -30.08 68.55 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 170.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.95 -33.59 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.264 0.554 . . . . 25.0 111.434 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -63.69 -24.41 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.661 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.5 t -58.35 -43.43 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 116.335 -0.393 . . . . 25.0 109.951 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.14 -36.3 82.78 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.342 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.63 -55.78 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -29.09 45.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -130.01 68.31 80.72 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.36 -0.382 . . . . 25.0 110.912 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.71 -14.57 36.42 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.799 1.038 . . . . 25.0 114.799 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -9.66 57.88 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -69.88 -52.84 12.61 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.531 -0.731 . . . . 25.0 111.379 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.03 -15.06 35.96 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 114.573 -3.151 . . . . 25.0 114.205 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -61.85 -37.4 84.38 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.955 0.407 . . . . 25.0 110.73 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -75.48 -24.92 56.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 25.0 110.747 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.98 27.03 59.13 Favored Glycine 0 C--O 1.228 -0.232 0 CA-C-N 115.684 -0.689 . . . . 25.0 114.41 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.8 m -128.99 129.02 44.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.17 90.61 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 123.644 1.687 . . . . 25.0 110.109 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -124.57 158.69 32.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 104.549 -2.389 . . . . 25.0 104.549 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 tp -62.61 -30.09 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -67.65 -32.99 74.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.76 -0.587 . . . . 25.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -81.18 -32.12 33.71 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -64.47 -27.29 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -53.98 -44.8 71.1 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -53.72 -32.97 54.02 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.74 -39.24 77.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 -176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.86 -35.18 51.21 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.07 -39.12 91.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -45.78 90.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.348 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.26 -38.51 91.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.17 -38.35 78.66 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 111.668 0.248 . . . . 25.0 111.668 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.03 -41.56 81.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.905 0.859 . . . . 25.0 110.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.04 -36.91 85.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.82 -37.75 82.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.456 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.96 -31.53 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.108 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.0 m -69.44 -46.91 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.19 1.04 6.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.236 2.31 . . . . 25.0 117.236 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.69 -170.29 51.61 Favored Glycine 0 C--O 1.242 0.625 0 C-N-CA 120.63 -0.795 . . . . 25.0 114.336 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.66 -7.16 20.62 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.162 1.908 . . . . 25.0 115.659 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.53 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.218 -0.301 . . . . 25.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -110.0 -37.69 5.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.62 131.15 24.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.46 152.75 26.75 Favored 'Trans proline' 0 CA--C 1.517 -0.367 0 C-N-CA 115.339 -2.64 . . . . 25.0 111.699 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.9 -20.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 121.831 -0.543 . . . . 25.0 110.644 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -73.14 -20.34 60.94 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.776 -0.578 . . . . 25.0 111.385 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.09 80.41 Favored 'General case' 0 C--O 1.221 -0.398 0 O-C-N 121.639 -0.663 . . . . 25.0 109.413 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -73.42 -30.35 63.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 25.0 111.08 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -71.09 -44.62 65.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.07 -45.36 95.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.618 175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.53 -39.23 79.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.95 0.405 . . . . 25.0 111.77 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -64.67 -29.81 70.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.356 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.94 -40.04 83.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 121.261 0.553 . . . . 25.0 110.442 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.85 -30.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 121.282 -0.887 . . . . 25.0 108.845 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -59.78 -46.86 87.87 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.858 -0.526 . . . . 25.0 110.355 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.17 -31.78 71.57 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.798 0.726 . . . . 25.0 109.846 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.04 -39.67 79.04 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 112.651 0.612 . . . . 25.0 112.651 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.12 -42.33 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.635 0.652 . . . . 25.0 109.646 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.64 -35.19 73.89 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.991 0.424 . . . . 25.0 110.211 -175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -116.63 36.75 4.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.488 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -64.62 -19.04 65.45 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.075 0.464 . . . . 25.0 110.202 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.15 -27.23 66.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.1 m -120.37 11.79 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.293 0.568 . . . . 25.0 110.996 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -124.71 77.92 64.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.24 -20.46 49.3 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.245 -1.37 . . . . 25.0 115.003 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.04 -44.56 95.54 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.47 -30.3 7.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.523 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -40.87 86.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.934 0.788 . . . . 25.0 110.633 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.14 71.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.141 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.03 -30.71 34.81 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.5 -49.3 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.75 96.29 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.268 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.14 -34.4 77.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 m -69.26 -39.0 78.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.94 -37.1 83.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 119.712 -0.185 . . . . 25.0 110.933 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.07 -50.67 63.33 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.37 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.44 -37.17 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.893 -0.594 . . . . 25.0 109.889 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.65 -30.52 71.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.439 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 18.0 mmtp . . . . . 0 N--CA 1.474 0.76 0 CA-C-N 118.56 0.618 . . . . 25.0 111.162 175.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.352 0 CA-C-O 119.739 -0.478 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.07 -34.69 78.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.739 0.769 . . . . 25.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -72.29 -35.73 68.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 25.0 109.822 178.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.56 -39.71 84.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -13.55 32.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 169.078 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -98.21 -17.52 18.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.703 0.763 . . . . 25.0 109.562 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -86.24 96.73 10.04 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 177.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.72 -38.95 57.43 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -176.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -58.4 -37.77 76.0 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.955 -0.466 . . . . 25.0 111.487 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.27 -39.39 54.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.35 0.595 . . . . 25.0 110.209 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.94 -42.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 115.669 -0.696 . . . . 25.0 112.019 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 119.267 0.939 . . . . 25.0 112.316 -178.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.316 0.579 . . . . 25.0 110.041 176.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -30.72 67.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.958 -0.464 . . . . 25.0 112.251 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.6 -40.48 87.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 174.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.93 -47.5 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 177.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.94 96.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.788 1.032 . . . . 25.0 113.788 -176.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 28' ' ' PHE . 3.3 mp -62.3 -40.85 97.64 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.41 -41.63 72.72 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 p -66.76 -30.69 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.737 0.303 . . . . 25.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -73.08 -25.86 61.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 25.0 110.048 176.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 7.55 73.95 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-O 121.542 0.523 . . . . 25.0 111.814 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.63 133.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -175.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -100.72 84.24 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.997 -170.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.22 139.44 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.22 138.07 58.23 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.421 -1.696 . . . . 25.0 106.421 176.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 19' ' ' LEU . 18.8 t80 -55.14 -48.01 74.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -35.18 76.01 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.826 0.346 . . . . 25.0 111.37 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -76.39 -28.37 56.69 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.708 -0.223 . . . . 25.0 110.687 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.89 -49.62 56.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 178.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.92 -35.04 75.66 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.843 -0.536 . . . . 25.0 110.455 174.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.85 -23.96 52.69 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.463 -0.773 . . . . 25.0 111.354 177.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.66 -19.94 60.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 173.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.95 -34.8 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.484 0.659 . . . . 25.0 110.246 177.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.57 -35.27 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -176.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.64 -35.04 68.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 O-C-N 122.068 -0.395 . . . . 25.0 110.164 178.023 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.82 -36.59 84.4 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.114 -0.366 . . . . 25.0 111.011 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.43 -53.52 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 25.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -73.88 -29.0 61.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.467 0.651 . . . . 25.0 112.64 -177.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.2 m -120.96 80.23 33.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.054 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.96 -13.37 31.6 Favored 'Trans proline' 0 C--N 1.344 0.318 0 CA-C-O 121.48 0.533 . . . . 25.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.77 -19.95 28.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.916 176.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.35 -46.18 90.1 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.99 -21.54 32.28 Favored 'Trans proline' 0 C--N 1.358 1.068 1 C-N-CA 112.8 -4.333 . . . . 25.0 113.662 177.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -75.65 -25.93 57.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.407 0.146 . . . . 25.0 111.165 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.1 -26.91 65.16 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.74 53.92 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.713 0.645 . . . . 25.0 114.713 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -129.37 128.86 43.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.358 0.579 . . . . 25.0 110.211 -174.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' HB ' ' A' ' 106' ' ' THR . 29.0 mm -113.36 111.36 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 122.902 1.334 . . . . 25.0 109.988 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -155.94 163.07 40.21 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.752 -1.567 . . . . 25.0 107.823 175.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.15 -32.79 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.358 -178.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -67.74 -29.85 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.894 -0.504 . . . . 25.0 109.679 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.36 43.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -61.27 -27.2 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 -177.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.38 -49.28 67.54 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.013 0.435 . . . . 25.0 109.856 177.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -59.84 -27.59 66.77 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.6 -40.1 83.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.46 0.648 . . . . 25.0 109.751 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -34.03 51.02 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.408 -0.901 . . . . 25.0 110.923 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 176.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -43.26 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.882 178.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.72 -35.0 75.24 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -67.97 -45.94 72.79 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.716 -178.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.44 -37.99 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.049 0.452 . . . . 25.0 110.506 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.19 -36.99 82.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -66.72 -39.82 88.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.641 175.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.3 -34.27 77.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.015 -0.428 . . . . 25.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 m -82.19 -42.19 19.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -117.11 2.72 12.67 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 -172.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.73 -175.26 53.61 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 116.175 1.23 . . . . 25.0 116.175 175.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.71 -13.21 34.48 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.696 1.598 . . . . 25.0 113.384 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.72 -15.22 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 25.0 110.873 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.79 -41.4 4.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.09 130.81 24.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.67 154.14 17.86 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 115.764 -2.357 . . . . 25.0 110.655 173.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.44 -20.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 121.453 -0.78 . . . . 25.0 110.889 177.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -75.55 -18.16 59.86 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.663 -0.648 . . . . 25.0 111.651 177.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.54 80.57 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.501 -0.749 . . . . 25.0 109.501 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.79 -31.61 70.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.56 . . . . 25.0 110.751 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -72.86 -45.02 60.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.51 -45.25 94.99 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 175.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -57.55 -38.36 74.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.754 0.311 . . . . 25.0 111.306 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.16 -34.19 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.808 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.96 -46.0 86.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.7 -32.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.52 -44.95 85.49 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 121.57 -0.706 . . . . 25.0 110.578 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.07 -24.57 60.69 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.242 -0.983 . . . . 25.0 110.815 -178.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.13 -38.8 79.03 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.166 -0.333 . . . . 25.0 110.693 177.08 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -78.18 -39.37 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.174 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.65 94.97 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 179.365 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -100.99 33.96 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.273 -176.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? -59.38 -26.84 65.45 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.003 0.43 . . . . 25.0 111.027 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -61.23 -33.99 74.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.988 1.107 . . . . 25.0 113.988 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.58 10.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.554 0.692 . . . . 25.0 110.436 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.05 77.83 66.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.19 -20.39 32.86 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 117.28 -1.347 . . . . 25.0 114.377 -176.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -69.2 -38.39 78.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.71 -28.64 6.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.838 178.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -60.38 -40.69 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.214 0.53 . . . . 25.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.02 -27.97 69.48 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.537 -0.727 . . . . 25.0 110.932 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 -30.43 35.7 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 122.123 -0.361 . . . . 25.0 110.529 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.2 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 175.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.632 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.73 -37.26 85.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' HG13 ' A' ' 51' ' ' ILE . 29.0 m -62.28 -40.87 97.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.493 -0.928 . . . . 25.0 108.493 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -63.41 -43.1 98.48 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.323 -0.551 . . . . 25.0 111.426 176.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.67 -43.36 97.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.348 0.594 . . . . 25.0 110.696 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.79 -43.59 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.79 -0.641 . . . . 25.0 109.494 -178.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.48 -41.64 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.02 -0.425 . . . . 25.0 111.809 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 mttt . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.268 0.47 . . . . 25.0 112.268 -179.554 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.287 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -65.3 -39.96 93.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.95 -42.83 89.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.343 0.592 . . . . 25.0 110.587 179.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 106' ' ' THR . 2.3 mp -57.72 -39.46 77.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 176.082 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -62.42 -21.21 65.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.984 1.105 . . . . 25.0 113.984 174.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.63 -19.68 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 -176.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -85.98 87.53 7.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.156 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -40.5 9.58 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.729 1.381 . . . . 25.0 114.729 -178.312 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.81 -35.91 77.71 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 178.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -76.27 -38.93 55.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.43 0.633 . . . . 25.0 109.512 176.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.45 -36.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.805 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.9 -42.73 76.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 178.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -70.24 -39.03 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.815 -0.553 . . . . 25.0 110.237 178.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.83 -23.67 62.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.956 0.724 . . . . 25.0 112.956 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.57 -35.5 76.23 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 176.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -78.21 -45.7 22.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.79 81.33 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -175.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.96 -39.82 91.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.37 -48.43 64.77 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 t -69.94 -23.68 63.23 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -173.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -23.49 48.28 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 175.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.67 15.97 76.6 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.646 -0.981 . . . . 25.0 110.646 -176.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.89 93.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 123.607 1.67 . . . . 25.0 108.254 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.3 84.34 5.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.01 -1.45 . . . . 25.0 110.251 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.49 162.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -69.9 140.44 53.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 175.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -48.54 78.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.67 77.56 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.618 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -72.31 -28.37 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -56.78 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.801 -0.76 . . . . 25.0 109.106 176.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.32 -22.99 55.17 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.53 -37.8 65.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.471 0.653 . . . . 25.0 110.165 174.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -77.24 -23.78 51.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -67.38 -28.25 67.78 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 173.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -26.13 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.296 0.57 . . . . 25.0 111.13 178.073 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.68 -40.37 88.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.364 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -33.48 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.765 -0.584 . . . . 25.0 110.582 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.57 71.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -53.47 11.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -177.159 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.52 -29.25 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.795 0.807 . . . . 25.0 112.096 -178.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.55 77.82 55.1 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.597 -0.728 . . . . 25.0 110.651 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.26 -16.17 35.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 CA-C-O 121.687 0.619 . . . . 25.0 111.959 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 -17.82 58.77 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.961 176.004 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -53.61 27.35 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 121.427 -0.796 . . . . 25.0 111.376 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.48 -20.5 27.21 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.438 -3.908 . . . . 25.0 113.624 175.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.45 -36.19 83.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.031 0.443 . . . . 25.0 110.409 177.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -76.0 -23.53 55.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.847 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.41 24.61 52.71 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 114.636 0.614 . . . . 25.0 114.636 177.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 m -128.32 126.89 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -175.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.5 mt -119.22 101.07 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.919 1.342 . . . . 25.0 110.046 -175.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -141.69 164.26 30.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.422 -2.436 . . . . 25.0 104.422 176.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.5 -28.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.237 -0.185 . . . . 25.0 111.378 -177.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.78 -32.24 73.67 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.442 -0.786 . . . . 25.0 109.956 175.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -78.89 -41.47 29.63 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -68.91 -32.01 71.33 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -177.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -63.11 -39.44 94.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.36 -0.837 . . . . 25.0 110.516 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -57.76 -27.82 63.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.62 -39.47 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.559 0.695 . . . . 25.0 109.417 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.03 -35.02 58.05 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.674 -0.971 . . . . 25.0 110.674 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.75 -39.7 92.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.62 -43.83 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.851 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -62.22 -39.06 91.54 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.92 -43.04 89.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 -177.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.47 -44.35 82.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.587 0.708 . . . . 25.0 111.236 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.14 -34.7 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.178 0.513 . . . . 25.0 109.987 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.58 -38.32 80.58 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.223 177.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -67.47 -33.39 75.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.51 . . . . 25.0 109.756 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.5 m -71.39 -45.97 61.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -178.261 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.55 6.38 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.737 2.495 . . . . 25.0 117.737 -172.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.8 -172.23 55.17 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.869 1.108 . . . . 25.0 115.869 175.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -69.82 -12.36 32.64 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.998 1.799 . . . . 25.0 114.071 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.13 -18.37 63.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.341 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -113.02 -38.55 4.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -178.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.0 t -122.38 130.94 24.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 173.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.23 154.15 24.87 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 114.91 -2.926 . . . . 25.0 111.572 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.9 -21.68 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.71 -0.619 . . . . 25.0 110.849 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.93 -17.79 60.51 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.67 -0.644 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.01 77.36 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 120.226 -0.59 . . . . 25.0 109.627 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -71.03 -30.43 66.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 25.0 111.44 178.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.7 t -73.32 -44.76 58.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.62 -43.79 98.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.58 175.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -58.68 -37.46 76.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.779 0.323 . . . . 25.0 111.68 -179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.85 -32.36 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.221 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.29 -47.08 77.9 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.408 0.623 . . . . 25.0 110.401 178.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.42 -29.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -59.83 -46.53 88.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.698 -0.626 . . . . 25.0 110.527 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.02 -30.76 68.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.345 0.975 . . . . 25.0 110.227 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.05 -46.57 90.17 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 120.48 0.181 . . . . 25.0 110.922 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.27 -39.9 19.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.944 -178.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.03 -34.8 73.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.161 -0.337 . . . . 25.0 110.34 -176.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -114.52 32.34 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 178.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.56 -20.07 65.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.381 0.61 . . . . 25.0 109.955 176.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -59.63 -28.39 67.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.093 1.145 . . . . 25.0 114.093 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 m -118.8 10.66 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.334 0.588 . . . . 25.0 110.893 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.99 86.07 58.4 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.191 -0.459 . . . . 25.0 109.993 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -66.47 -21.62 53.0 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 117.034 -1.511 . . . . 25.0 114.374 -177.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -59.91 -46.05 90.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.88 -32.58 7.61 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.541 0 CA-C-N 115.367 -0.833 . . . . 25.0 110.365 -174.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -39.78 90.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.387 0.54 . . . . 25.0 110.486 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.94 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.99 -0.444 . . . . 25.0 110.388 176.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.6 57.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.42 -48.92 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 177.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.59 98.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.97 -38.8 92.55 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.534 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 5' ' ' LEU . 33.0 m -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.133 -0.627 . . . . 25.0 109.332 -178.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.49 -47.88 82.64 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.066 -0.654 . . . . 25.0 110.744 178.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.8 -35.33 79.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -177.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.5 mt -66.87 -40.0 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.45 -37.46 85.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.943 -0.473 . . . . 25.0 110.705 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.5 mttt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.785 0.326 . . . . 25.0 111.214 177.908 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.099 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.29 -37.55 85.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.919 -0.754 . . . . 25.0 110.326 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.91 -40.33 96.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.897 -0.502 . . . . 25.0 110.495 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.82 -19.14 65.68 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 172.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -92.9 -21.02 20.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -177.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -88.22 89.74 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.14 -29.29 63.48 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -173.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.78 -45.85 81.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.489 0.661 . . . . 25.0 110.312 174.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -69.81 -43.03 72.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.83 -42.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 24.4 tt0 -61.29 -44.09 97.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -177.056 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -39.81 80.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 178.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.86 -23.47 67.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -177.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 49.7 mttm -51.34 -36.04 41.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 176.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -77.86 -41.64 36.17 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 25.0 111.775 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -31.51 72.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.986 0.422 . . . . 25.0 111.564 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.9 -35.62 78.91 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 174.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? -78.54 -36.33 44.87 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -66.26 -11.74 52.11 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -175.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.789 ' HE ' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.9 -20.86 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.074 -0.391 . . . . 25.0 110.795 174.503 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.95 13.41 82.6 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.055 -0.593 . . . . 25.0 113.952 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.74 154.91 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 84.34 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.174 0.511 . . . . 25.0 111.273 -176.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.75 154.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.409 0.623 . . . . 25.0 109.692 176.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -104.67 157.33 17.26 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.18 -44.54 94.98 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.979 -0.451 . . . . 25.0 110.255 173.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.26 68.44 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 120.743 0.306 . . . . 25.0 111.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -76.65 -54.63 6.4 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.109 -0.701 . . . . 25.0 109.109 177.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -49.19 74.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.325 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.38 -22.14 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.836 -0.54 . . . . 25.0 112.182 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.04 -35.34 73.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.316 -0.553 . . . . 25.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.41 -23.78 54.03 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.533 -0.73 . . . . 25.0 111.88 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -75.42 -26.98 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.763 -0.585 . . . . 25.0 110.336 170.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.76 -33.98 73.16 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 172.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.65 -30.92 70.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.684 -0.235 . . . . 25.0 110.963 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.65 -46.7 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.215 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -62.22 -41.55 98.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.746 -0.661 . . . . 25.0 109.89 -173.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.32 -49.71 68.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.879 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -78.08 -29.15 48.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.505 0.669 . . . . 25.0 112.18 -176.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.09 75.62 78.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 122.8 0.44 . . . . 25.0 111.355 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.06 -15.18 32.3 Favored 'Trans proline' 0 C--N 1.343 0.281 0 CA-C-O 121.54 0.558 . . . . 25.0 112.47 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.88 -15.76 52.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.101 176.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -64.99 -52.65 47.73 Favored Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 121.46 -0.775 . . . . 25.0 111.09 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -70.0 -21.17 32.74 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 113.496 -3.87 . . . . 25.0 113.619 177.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.79 -38.78 89.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.608 0.242 . . . . 25.0 111.279 178.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 55' ' ' ARG . 38.1 mt-10 -77.87 -15.2 59.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.194 -0.316 . . . . 25.0 110.744 178.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.48 23.02 40.81 Favored Glycine 0 C--O 1.225 -0.462 0 N-CA-C 117.383 1.713 . . . . 25.0 117.383 171.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 m -127.19 133.18 50.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.881 0.84 . . . . 25.0 109.87 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.98 107.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 122.261 1.029 . . . . 25.0 111.134 -173.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.2 162.08 40.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 176.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.72 -31.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -178.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -66.18 -29.48 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.588 -0.695 . . . . 25.0 109.561 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 48' ' ' GLU . 32.9 mtt-85 -85.09 -38.46 19.08 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 111.371 176.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -64.24 -30.5 71.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.878 0.371 . . . . 25.0 111.379 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 72.0 mtt180 -59.87 -43.12 94.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.13 -0.356 . . . . 25.0 110.952 177.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.95 -29.22 65.01 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 175.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.8 -38.08 80.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.82 -34.33 53.41 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.044 -0.822 . . . . 25.0 111.044 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.59 -39.37 93.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 176.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.44 95.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.554 178.033 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.27 -34.89 79.15 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.348 -0.541 . . . . 25.0 109.922 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -69.42 -37.59 77.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.803 0.335 . . . . 25.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.89 -47.42 74.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 25.0 109.632 178.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.76 -32.62 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.834 179.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.32 -42.76 78.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.184 177.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -66.08 -24.22 66.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -172.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 m -58.05 -41.21 82.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.356 -178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.22 -44.67 1.57 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.99 -163.86 24.79 Favored Glycine 0 C--O 1.24 0.508 0 N-CA-C 111.826 -0.51 . . . . 25.0 111.826 -174.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.93 -10.81 29.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.366 1.377 . . . . 25.0 114.33 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.64 -20.56 59.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.25 0.548 . . . . 25.0 110.121 176.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.74 -44.76 7.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.006 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.33 130.84 23.66 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 105.4 -2.074 . . . . 25.0 105.4 175.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.83 153.31 29.38 Favored 'Trans proline' 0 CA--C 1.514 -0.477 0 C-N-CA 114.889 -2.941 . . . . 25.0 112.334 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.59 -21.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.812 -0.555 . . . . 25.0 111.46 177.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -71.05 -21.8 62.21 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.473 -0.767 . . . . 25.0 110.797 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.06 82.58 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 119.775 -0.77 . . . . 25.0 109.543 177.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -74.67 -29.05 61.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.867 0.365 . . . . 25.0 110.848 177.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.5 t -70.7 -44.67 66.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.79 -42.64 97.69 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.726 -0.67 . . . . 25.0 109.797 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.411 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 82.4 t90 -58.99 -38.65 79.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.073 -0.392 . . . . 25.0 111.324 178.237 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -66.45 -28.72 68.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.368 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 ' HE ' ' A' ' 22' ' ' ARG . 37.0 tp -64.6 -47.92 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 121.198 0.523 . . . . 25.0 110.276 176.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.55 -29.59 27.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 120.943 -1.098 . . . . 25.0 108.563 -178.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -59.4 -51.34 70.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 176.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -69.44 -30.34 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.68 -43.77 79.39 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 112.465 0.543 . . . . 25.0 112.465 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.61 -39.3 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.05 -27.54 68.96 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.106 0.479 . . . . 25.0 110.558 -178.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -123.64 36.28 4.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.413 177.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.55 -16.75 64.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.164 0.507 . . . . 25.0 111.975 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.85 -32.75 74.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.614 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.61 8.51 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.758 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -123.83 80.63 56.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 177.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.51 -20.98 53.64 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 117.141 -1.439 . . . . 25.0 114.683 -174.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -65.22 -49.05 71.16 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.7 -30.47 29.11 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 118.776 -1.169 . . . . 25.0 110.308 -176.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -40.67 91.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.642 0.655 . . . . 25.0 110.218 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 25.0 110.381 176.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.68 48.58 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.52 -47.96 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 177.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.81 73.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.458 179.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.71 -37.41 86.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.045 0.758 . . . . 25.0 113.045 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 m -67.92 -39.08 83.61 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.4 -40.25 96.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.044 -0.662 . . . . 25.0 110.942 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.22 -45.71 92.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.123 0.487 . . . . 25.0 109.824 178.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.31 -40.39 82.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.832 -177.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.72 -38.44 91.14 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.015 -0.428 . . . . 25.0 110.984 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.936 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.293 0 N-CA-C 116.977 1.551 . . . . 25.0 116.977 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.31 -27.47 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.661 1.231 . . . . 25.0 113.325 -178.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.26 -31.11 60.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 177.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.99 -35.59 80.98 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.168 -0.333 . . . . 25.0 111.085 -176.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -18.17 57.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 173.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.47 -18.04 18.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 25.0 110.495 -178.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -82.03 92.47 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.114 -0.493 . . . . 25.0 110.69 -176.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.02 -39.01 65.75 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -173.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -56.25 -33.33 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -88.21 -40.3 13.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.51 . . . . 25.0 110.278 178.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.5 t -58.36 -32.47 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.767 176.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.96 -44.7 67.32 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.357 0.526 . . . . 25.0 111.356 175.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -72.24 -41.07 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.23 -24.81 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.74 -35.8 77.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 175.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -83.77 -40.5 18.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.454 176.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.78 78.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -175.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.28 -42.49 98.73 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.181 -1.415 . . . . 25.0 107.181 176.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -64.4 -43.91 92.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.749 -1.114 . . . . 25.0 112.068 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -20.02 61.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -175.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 173.526 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.09 19.7 78.61 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.186 -0.53 . . . . 25.0 111.91 -177.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 22' ' ' ARG . 11.9 p -102.04 119.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.391 1.091 . . . . 25.0 111.139 -174.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.38 84.41 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.653 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.07 153.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -69.91 133.59 47.49 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.789 -2.3 . . . . 25.0 104.789 176.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 -175.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.5 71.25 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.369 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.35 -40.78 64.15 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 110.209 -0.293 . . . . 25.0 110.209 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.1 -50.62 72.97 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.57 -30.6 71.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.584 -0.734 . . . . 25.0 112.736 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -63.65 -28.93 70.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.802 -0.561 . . . . 25.0 111.436 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.0 -24.14 59.54 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.107 -0.996 . . . . 25.0 112.039 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.29 -27.24 62.34 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.536 0.684 . . . . 25.0 109.703 169.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.32 -29.26 61.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.283 0.563 . . . . 25.0 109.592 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -67.76 -36.58 80.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.429 178.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -63.41 -23.51 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.909 0.385 . . . . 25.0 111.032 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.14 -35.68 79.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.04 -177.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.96 -39.2 66.38 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.692 0.758 . . . . 25.0 110.457 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -32.0 42.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.415 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -136.65 78.67 42.56 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.502 -0.772 . . . . 25.0 112.133 -175.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.87 -17.21 32.71 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 CA-C-O 121.7 0.625 . . . . 25.0 112.305 178.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -10.59 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.213 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -69.14 -53.01 14.55 Favored Pre-proline 0 CA--C 1.545 0.76 0 O-C-N 121.29 -0.881 . . . . 25.0 111.481 178.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.13 -20.96 37.1 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 114.486 -3.209 . . . . 25.0 113.544 176.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -62.59 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.95 0.405 . . . . 25.0 110.177 177.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -73.81 -38.06 64.69 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 25.0 110.078 176.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.95 32.85 67.15 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 116.302 -0.408 . . . . 25.0 112.203 -178.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -120.14 121.37 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 -178.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.1 103.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 123.167 1.461 . . . . 25.0 110.972 -171.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -143.82 167.55 22.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 103.585 -2.746 . . . . 25.0 103.585 175.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.17 -26.69 38.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.069 0.395 . . . . 25.0 111.311 -178.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -67.23 -33.44 75.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.564 -0.71 . . . . 25.0 109.556 175.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -81.57 -25.07 36.12 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.704 0.402 . . . . 25.0 110.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -86.22 -26.82 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.843 0.457 . . . . 25.0 111.819 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -56.75 -48.78 77.05 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -57.68 -23.11 49.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.96 -35.29 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.253 -1.017 . . . . 25.0 108.253 -175.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.23 -36.48 55.86 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.505 -1.038 . . . . 25.0 110.505 178.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.96 -38.46 91.17 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -41.37 96.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 25.0 111.587 176.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.46 -36.61 83.01 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.241 -0.652 . . . . 25.0 109.241 178.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -67.03 -39.59 87.02 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.989 0.18 . . . . 25.0 110.846 -177.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.75 -32.85 60.14 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.797 -0.761 . . . . 25.0 111.193 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.24 -37.6 87.76 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -67.68 -36.05 79.98 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.559 176.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.38 -34.5 78.3 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.817 -0.552 . . . . 25.0 109.799 177.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -77.28 -43.73 32.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -123.61 4.72 8.92 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 -173.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.62 -171.88 51.31 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 115.954 1.142 . . . . 25.0 115.954 176.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.11 -9.65 23.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.518 2.146 . . . . 25.0 115.619 -176.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.14 -26.86 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.984 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -94.82 -39.8 10.07 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.96 -0.296 . . . . 25.0 111.09 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.63 130.92 24.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 174.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.18 154.6 14.5 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.97 177.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.07 -20.8 27.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 121.689 -0.632 . . . . 25.0 110.652 176.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -74.33 -17.35 60.85 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.695 -0.628 . . . . 25.0 111.409 177.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.48 84.01 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.062 -0.655 . . . . 25.0 109.46 178.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.64 -30.12 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.166 0.508 . . . . 25.0 110.789 178.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -74.32 -45.09 49.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m-85 -60.41 -48.04 83.49 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 175.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -55.29 -38.95 69.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -67.68 -35.91 79.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.03 -177.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.68 -35.74 81.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.939 -178.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 82' ' ' TYR . 3.3 mp -83.83 -27.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 176.583 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -42.53 93.63 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.513 -0.742 . . . . 25.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.794 0.725 . . . . 25.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.08 -40.74 91.07 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.469 -0.145 . . . . 25.0 111.058 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.24 -40.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.163 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.52 -32.48 71.5 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.084 -0.385 . . . . 25.0 110.16 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -112.05 28.97 8.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -67.81 -18.98 65.02 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.345 0.593 . . . . 25.0 109.599 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.28 -32.14 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.929 176.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.53 7.46 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.586 0.708 . . . . 25.0 110.396 -178.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -124.88 82.62 60.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.75 -17.62 42.23 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.671 -1.086 . . . . 25.0 113.828 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -65.34 -43.22 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.71 -28.94 6.75 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.53 179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -60.39 -36.99 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 118.515 0.598 . . . . 25.0 109.937 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.2 71.32 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.062 -0.399 . . . . 25.0 111.244 176.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.88 42.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 178.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.87 -51.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.64 98.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 25.0 110.177 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -62.18 -39.23 92.01 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.171 -0.612 . . . . 25.0 111.324 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -66.71 -36.47 82.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.529 -0.732 . . . . 25.0 109.628 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -62.1 -41.91 98.68 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.03 -0.419 . . . . 25.0 110.419 175.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -65.61 -45.84 81.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.281 0.563 . . . . 25.0 110.996 177.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 mt -64.3 -39.04 84.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 CA-C-N 116.048 -0.524 . . . . 25.0 111.649 -175.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -37.34 86.01 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.551 -178.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.451 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 31.0 mmtp . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 114.635 1.346 . . . . 25.0 114.635 176.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.17 0 N-CA-C 113.622 0.209 . . . . 25.0 113.622 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.16 -39.72 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 177.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -75.55 -38.29 59.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.622 -177.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 2.0 mm? -65.94 -38.19 87.98 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.818 -0.551 . . . . 25.0 111.25 176.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -68.77 -15.54 63.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 174.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -93.63 -21.32 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.42 0.628 . . . . 25.0 109.605 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.5 88.38 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 25.0 111.097 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -44.88 -43.76 9.1 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.307 1.595 . . . . 25.0 115.307 -175.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -42.46 99.39 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.736 -0.603 . . . . 25.0 110.583 -177.196 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.27 -44.27 75.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.312 177.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.83 -41.97 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.926 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.467 -0.771 . . . . 25.0 112.707 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -41.29 55.61 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.0 -23.5 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -52.28 -36.72 53.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.84 -50.57 12.02 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.678 176.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.7 98.98 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.859 1.429 . . . . 25.0 114.859 -176.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 178.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -68.73 -39.74 80.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 25.0 112.272 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -23.64 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.081 0.467 . . . . 25.0 112.016 -175.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.75 -16.88 58.11 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.905 -0.497 . . . . 25.0 111.392 176.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.69 1.19 61.19 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.956 -0.457 . . . . 25.0 111.956 -176.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -72.88 125.08 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.139 0.971 . . . . 25.0 109.493 -175.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -92.06 84.43 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.665 -176.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 m -133.27 157.48 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.483 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -83.57 144.02 29.76 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 104.83 -2.285 . . . . 25.0 104.83 176.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -49.74 65.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.65 70.09 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.782 -179.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.56 -36.31 44.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 25.0 110.408 -179.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.79 -53.81 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.434 0.635 . . . . 25.0 109.296 178.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.48 -19.93 65.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 2.3 pttt -61.41 -29.95 70.26 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.267 -0.895 . . . . 25.0 109.943 175.124 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 61.4 m-85 -80.24 -23.91 40.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.934 -0.479 . . . . 25.0 111.629 176.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.54 -31.91 70.39 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 171.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.07 -28.09 60.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.604 -0.685 . . . . 25.0 110.828 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -68.28 -27.96 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 25.0 110.325 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.44 -47.16 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 173.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -59.79 -45.0 93.67 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.811 -172.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -70.73 -26.95 63.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -97.24 -27.42 14.53 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.701 0.762 . . . . 25.0 111.921 -178.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.8 m -128.82 80.35 72.87 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 123.266 0.626 . . . . 25.0 110.779 -177.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.61 -17.22 33.88 Favored 'Trans proline' 0 C--N 1.343 0.258 0 CA-C-O 121.567 0.57 . . . . 25.0 111.984 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -12.31 60.01 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.242 176.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.18 -50.87 14.89 Favored Pre-proline 0 CA--C 1.542 0.653 0 O-C-N 121.081 -1.012 . . . . 25.0 112.511 -178.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.7 -20.6 40.04 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.449 -3.901 . . . . 25.0 112.96 175.008 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.59 -36.84 83.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.627 0.251 . . . . 25.0 110.79 176.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.8 -33.29 68.42 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.48 -10.34 1.03 Allowed Glycine 0 C--O 1.218 -0.848 0 N-CA-C 117.713 1.845 . . . . 25.0 117.713 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.0 m -99.51 137.13 38.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.208 0.504 . . . . 25.0 110.135 -174.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mm -106.29 113.2 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.62 1.2 . . . . 25.0 109.863 179.169 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.49 157.66 38.71 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 175.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.62 -32.05 56.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.289 -0.414 . . . . 25.0 111.056 -176.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -68.2 -30.11 69.12 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.565 -0.454 . . . . 25.0 111.427 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -82.93 -33.91 26.66 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -62.3 -27.28 68.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.413 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -54.54 -46.81 73.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.316 -0.253 . . . . 25.0 110.316 175.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -54.97 -31.93 61.16 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -177.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -70.67 -40.75 77.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.286 0.565 . . . . 25.0 109.974 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.38 61.19 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -62.36 -41.38 98.56 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -42.83 99.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.698 178.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -64.17 -38.55 91.46 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -67.41 -43.03 82.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.86 -0.155 . . . . 25.0 111.372 -177.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -59.9 -47.57 85.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.15 -37.89 84.56 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.063 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.92 -40.29 96.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -34.74 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.631 -0.668 . . . . 25.0 110.287 -178.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 m -69.38 -43.25 73.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.507 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 8.84 6.66 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 117.9 2.555 . . . . 25.0 117.9 -170.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.22 174.55 49.88 Favored Glycine 0 C--O 1.246 0.849 0 N-CA-C 117.674 1.83 . . . . 25.0 117.674 173.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.79 -14.54 39.23 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.733 2.289 . . . . 25.0 114.77 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -74.45 -15.78 60.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.109 -0.369 . . . . 25.0 110.441 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -99.44 -44.0 6.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.94 130.86 24.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 174.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.24 153.43 24.46 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.832 -2.979 . . . . 25.0 111.729 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.88 -21.12 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.899 -0.501 . . . . 25.0 110.584 176.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.78 -19.35 61.37 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.626 -0.671 . . . . 25.0 111.34 177.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.79 85.05 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.97 -32.53 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.131 0.491 . . . . 25.0 110.736 177.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -68.29 -45.27 73.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.88 -43.81 97.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.796 175.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -58.09 -39.62 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.351 . . . . 25.0 111.239 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.633 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.68 -41.26 83.95 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 121.442 0.639 . . . . 25.0 110.272 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.25 -29.88 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 178.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.13 -47.04 86.73 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.946 -0.471 . . . . 25.0 110.079 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.95 -29.27 65.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.827 0.74 . . . . 25.0 110.314 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.11 -40.57 90.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.725 177.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.0 mt -78.32 -43.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.294 -0.563 . . . . 25.0 109.872 178.159 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.78 -31.64 70.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 25.0 111.483 -175.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -117.03 33.87 5.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.53 -0.305 . . . . 25.0 111.171 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -64.71 -22.87 67.08 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.247 0.546 . . . . 25.0 109.858 176.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 4.4 pt-20 -60.66 -35.86 77.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.73 7.19 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.7 0.762 . . . . 25.0 109.527 -178.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -125.23 77.9 67.47 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.042 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.0 -16.95 54.42 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 117.26 -1.36 . . . . 25.0 112.682 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.53 -44.58 90.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.84 -25.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 120.596 -0.442 . . . . 25.0 111.845 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.04 -36.3 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.103 -0.373 . . . . 25.0 110.539 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.81 77.48 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.475 -0.765 . . . . 25.0 111.212 177.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -31.98 65.11 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.184 -0.323 . . . . 25.0 110.466 178.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.43 -51.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.17 92.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.286 0.565 . . . . 25.0 111.567 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.98 -41.29 97.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.039 -0.413 . . . . 25.0 110.806 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -61.9 -42.42 99.06 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.69 -50.35 68.48 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -77.23 -30.64 54.68 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 5' ' ' LEU . 63.7 mt -65.27 -38.31 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.2 -23.79 65.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.157 0.503 . . . . 25.0 110.025 178.942 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.325 0 N-CA-C 112.12 -0.392 . . . . 25.0 112.12 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -56.69 -39.71 74.3 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 122.234 0.213 . . . . 25.0 110.443 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -85.79 -39.95 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.059 0.457 . . . . 25.0 111.692 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.72 -45.75 85.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.468 -176.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -57.4 -29.91 64.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 172.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -87.69 -19.27 27.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.331 0.586 . . . . 25.0 110.493 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -82.8 84.8 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -178.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.84 -33.39 56.13 Favored 'General case' 0 C--O 1.208 -1.113 0 N-CA-C 114.373 1.249 . . . . 25.0 114.373 -173.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -62.76 -36.84 84.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.609 1.095 . . . . 25.0 112.361 176.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -70.99 -46.24 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 176.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.38 -39.34 60.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 CA-C-N 115.813 -0.631 . . . . 25.0 110.939 177.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 62.5 tt0 -56.72 -44.79 81.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.452 0.701 . . . . 25.0 111.917 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -37.05 65.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.42 -23.52 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 59.7 mttm -56.04 -39.23 71.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -76.84 -43.86 34.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.257 -0.428 . . . . 25.0 110.744 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.35 87.33 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 176.053 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -71.13 -40.8 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -178.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -68.65 -25.52 64.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.398 0.544 . . . . 25.0 112.327 -177.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -73.09 -21.55 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.607 . . . . 25.0 109.422 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.99 11.29 85.53 Favored Glycine 0 N--CA 1.458 0.102 0 CA-C-N 116.369 -0.378 . . . . 25.0 114.041 174.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -96.88 118.22 42.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -176.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -79.25 84.51 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.378 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.71 155.98 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 175.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -75.7 138.78 41.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 25.0 109.21 -178.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -49.88 71.34 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.724 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.74 75.36 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.19 0.519 . . . . 25.0 109.987 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -75.97 -33.88 59.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -175.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -48.44 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.721 0.772 . . . . 25.0 109.016 176.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.97 -27.37 65.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.798 1.036 . . . . 25.0 113.798 175.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.07 -39.55 92.78 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.338 -0.545 . . . . 25.0 109.787 176.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.46 -23.75 53.86 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.809 -0.557 . . . . 25.0 111.579 178.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -64.6 -23.26 67.21 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 171.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.78 -35.2 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.775 -0.578 . . . . 25.0 111.085 176.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.65 -33.3 74.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -39.3 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 121.63 -0.669 . . . . 25.0 109.338 176.661 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -38.99 92.73 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.514 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -64.22 -38.43 91.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.923 0.392 . . . . 25.0 111.758 -179.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -87.38 -29.0 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.382 0.611 . . . . 25.0 111.728 -176.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -123.5 80.9 53.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.236 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -70.6 -16.86 34.07 Favored 'Trans proline' 0 C--N 1.344 0.293 0 CA-C-O 121.601 0.584 . . . . 25.0 112.626 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -16.88 52.99 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.251 177.055 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.43 -50.08 15.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.05 -20.22 38.48 Favored 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 113.034 -4.177 . . . . 25.0 112.677 176.315 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -31.8 73.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.569 0.348 . . . . 25.0 111.709 177.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.85 -21.73 60.89 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.295 -0.253 . . . . 25.0 110.658 178.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 24.68 53.93 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 113.996 0.359 . . . . 25.0 113.996 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -128.23 124.86 37.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.851 0.325 . . . . 25.0 110.236 -174.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.7 mm -110.44 112.01 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-O 123.064 1.412 . . . . 25.0 109.654 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -156.66 162.54 39.83 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 175.394 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.52 -29.15 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 116.554 -0.294 . . . . 25.0 110.45 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -65.01 -34.43 78.41 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.072 -0.393 . . . . 25.0 110.179 179.023 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -37.83 54.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.097 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.04 -25.7 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -55.82 -47.02 77.93 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -54.21 -33.77 59.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.808 -178.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.13 -39.92 82.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 25.0 110.013 -176.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.1 -37.19 60.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.35 -42.23 98.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -45.11 92.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.377 -0.829 . . . . 25.0 112.021 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.38 -40.53 96.77 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.107 -0.637 . . . . 25.0 109.368 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -66.75 -43.84 83.04 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.187 -175.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -66.42 -43.18 86.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.861 0.838 . . . . 25.0 110.986 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.66 -36.57 84.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.596 -0.729 . . . . 25.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -68.59 -38.77 80.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.574 -0.284 . . . . 25.0 110.781 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.84 -36.12 83.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.088 0.471 . . . . 25.0 110.007 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -82.58 -41.88 18.98 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -175.452 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -115.14 0.14 13.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.4 1.63 . . . . 25.0 115.4 -172.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.41 -177.34 51.2 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 116.718 1.447 . . . . 25.0 116.718 174.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.4 -15.94 34.77 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.112 1.875 . . . . 25.0 114.452 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.81 -20.18 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.15 0.5 . . . . 25.0 110.49 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -105.71 -36.45 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.46 130.82 23.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 173.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.83 153.38 22.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 114.831 -2.979 . . . . 25.0 112.1 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.35 -21.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.866 -0.521 . . . . 25.0 110.766 176.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -74.61 -17.68 60.67 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.725 -0.609 . . . . 25.0 111.207 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.8 -35.7 78.97 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.349 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.44 -33.14 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.173 0.511 . . . . 25.0 111.18 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.7 t -69.68 -44.69 69.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.67 -43.86 97.73 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.761 176.289 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.86 -37.43 73.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.852 0.358 . . . . 25.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -68.28 -34.84 76.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.411 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -62.56 -40.25 96.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.471 0.653 . . . . 25.0 110.435 178.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.06 -29.9 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.508 -0.745 . . . . 25.0 109.154 178.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -59.81 -45.74 91.42 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.494 -0.754 . . . . 25.0 109.839 178.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.11 -29.31 67.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.526 -0.734 . . . . 25.0 110.149 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.66 -45.62 74.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.44 -35.9 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.87 -39.06 93.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -110.87 38.77 2.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -68.29 -17.66 64.33 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.799 -0.637 . . . . 25.0 109.442 171.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.0 -30.02 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.048 177.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.52 9.07 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.438 0.637 . . . . 25.0 110.667 -178.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.25 84.45 59.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.47 -18.74 54.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 117.585 -1.143 . . . . 25.0 113.968 -176.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -64.84 -54.56 29.13 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 176.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -71.85 -27.15 26.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 C-N-CA 118.973 -1.091 . . . . 25.0 110.597 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -62.71 -36.66 83.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.755 -0.591 . . . . 25.0 109.854 176.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.19 70.45 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.688 -0.633 . . . . 25.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.36 43.46 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 99' ' ' VAL . 41.3 t -61.19 -48.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 177.441 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.51 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.773 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.64 -37.04 84.79 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -41.91 99.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -61.33 -42.79 99.25 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.741 175.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.81 -43.89 97.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.253 0.549 . . . . 25.0 110.42 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.65 -40.34 83.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.968 -178.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.05 -37.88 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.117 -0.364 . . . . 25.0 111.017 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.826 0.346 . . . . 25.0 111.033 179.313 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.313 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.34 -42.37 99.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.524 -0.398 . . . . 25.0 111.324 179.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -30.03 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.905 -0.718 . . . . 25.0 110.393 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.84 -39.05 93.16 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.035 -0.415 . . . . 25.0 110.871 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -67.25 -15.54 63.76 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 175.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.07 -13.94 15.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.235 0.541 . . . . 25.0 110.615 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -80.06 85.15 5.68 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.05 -31.28 29.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -169.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.235 -0.916 . . . . 25.0 113.294 176.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.53 -39.97 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 177.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.6 -36.81 43.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.597 174.279 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.94 -49.03 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -70.6 -39.6 73.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.813 0.816 . . . . 25.0 110.36 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -23.6 66.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -178.067 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -55.59 -38.07 68.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.51 -39.47 27.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.845 -0.616 . . . . 25.0 110.283 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.14 96.39 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.99 -40.44 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -73.6 -44.07 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -176.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -65.52 -14.64 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.31 59.18 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.122 -0.361 . . . . 25.0 111.119 177.065 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.18 21.88 78.45 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.025 -0.607 . . . . 25.0 112.112 -177.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -119.34 139.07 47.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.478 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -76.92 84.86 3.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.77 147.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -104.7 165.09 11.3 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.33 -48.42 76.79 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 178.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.82 66.37 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.04 -39.16 17.1 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.944 179.141 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -74.23 -50.61 18.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.27 -19.98 65.97 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.298 -0.251 . . . . 25.0 111.361 -176.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -52.28 -41.44 62.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.168 0.509 . . . . 25.0 109.934 171.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -78.46 -23.94 46.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -70.59 -30.8 67.58 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 173.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 -29.27 45.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 121.141 0.496 . . . . 25.0 110.244 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.43 -35.07 78.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.316 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -65.62 -26.65 39.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 C-N-CA 120.493 -0.483 . . . . 25.0 110.543 178.607 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -66.14 -35.62 80.97 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 -175.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.68 -53.22 9.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 25.0 111.483 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -28.55 63.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.575 0.702 . . . . 25.0 112.751 -176.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -127.71 78.3 75.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.656 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.97 -14.83 32.49 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.688 0.62 . . . . 25.0 112.162 -178.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -14.59 50.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.907 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.98 -50.13 82.25 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 121.473 -0.767 . . . . 25.0 112.482 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.52 -23.24 27.56 Favored 'Trans proline' 0 C--N 1.356 0.97 1 C-N-CA 112.611 -4.459 . . . . 25.0 113.77 177.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.25 -27.88 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.59 0.218 . . . . 25.0 111.59 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.77 -20.83 65.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 176.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.41 46.36 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 116.271 1.268 . . . . 25.0 116.271 173.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.509 ' HB ' HH11 ' A' ' 55' ' ' ARG . 39.8 m -137.45 139.39 40.59 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 -172.381 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.91 118.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.164 0.983 . . . . 25.0 109.418 177.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -154.85 162.87 40.96 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -68.84 -30.15 45.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.415 179.451 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.4 -28.78 66.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.269 -0.894 . . . . 25.0 109.312 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.509 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.9 ttm180 -78.33 -43.32 28.13 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 177.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -68.5 -34.17 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 55.2 mtt180 -59.8 -42.78 94.19 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.998 -0.439 . . . . 25.0 110.662 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -57.19 -29.47 63.73 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -39.74 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.539 0.685 . . . . 25.0 109.178 178.703 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.33 54.3 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.484 -0.865 . . . . 25.0 111.313 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.33 -38.98 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.279 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.63 -45.66 89.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -36.79 80.95 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 179.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.42 -40.01 81.37 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.056 -177.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -72.26 -36.68 69.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.733 0.778 . . . . 25.0 110.85 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.08 -37.57 87.91 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 175.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -68.86 -36.66 78.4 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.877 176.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.86 -34.08 77.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.622 -0.674 . . . . 25.0 109.777 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -71.24 -42.38 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.103 0.779 . . . . 25.0 113.103 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.31 0.26 6.36 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 117.14 2.274 . . . . 25.0 117.14 -172.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 -165.44 53.8 Favored Glycine 0 C--O 1.244 0.775 0 C-N-CA 120.806 -0.711 . . . . 25.0 113.35 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.76 -7.96 22.54 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.14 1.227 . . . . 25.0 114.397 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.91 -7.85 54.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -118.99 -45.46 2.57 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.75 130.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.834 -1.913 . . . . 25.0 105.834 175.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.04 154.02 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 114.969 -2.887 . . . . 25.0 111.477 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -21.24 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.854 -0.529 . . . . 25.0 110.883 177.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.21 -20.33 60.23 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.772 -0.58 . . . . 25.0 111.262 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.74 80.32 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.729 -0.607 . . . . 25.0 109.685 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.12 -30.92 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 25.0 111.549 178.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -73.46 -45.08 56.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.95 -40.26 97.15 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.785 176.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.4 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 85.5 t90 -64.01 -40.21 95.83 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.194 0.521 . . . . 25.0 110.984 -179.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.31 -26.41 68.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.03 -49.6 75.37 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.57 -30.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.415 0.626 . . . . 25.0 109.854 -178.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.8 -50.47 66.06 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.068 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.15 -23.1 61.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.232 -0.587 . . . . 25.0 111.334 -177.163 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.06 -39.96 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.486 178.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.9 mt -77.37 -38.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.78 -26.08 67.0 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.872 0.367 . . . . 25.0 110.584 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -122.54 31.78 5.99 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -56.83 -30.54 63.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.086 0.772 . . . . 25.0 113.086 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.4 pm0 -68.09 -24.31 65.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -173.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.62 10.95 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.16 78.21 75.74 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 121.45 0.643 . . . . 25.0 110.545 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.51 -21.16 40.5 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.413 1.274 . . . . 25.0 115.413 -173.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -65.14 -37.84 88.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.93 -27.53 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.009 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.198 0.523 . . . . 25.0 111.437 -175.508 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -26.28 66.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.881 -0.512 . . . . 25.0 110.41 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.32 -30.11 38.14 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 110.094 -0.335 . . . . 25.0 110.094 178.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.51 -48.86 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 176.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.59 86.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.324 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.65 -36.85 84.15 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.394 -0.522 . . . . 25.0 111.907 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.1 m -63.52 -43.27 97.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -60.75 -38.75 86.25 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.44 -0.504 . . . . 25.0 112.315 175.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -63.17 -48.27 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.699 0.761 . . . . 25.0 110.2 177.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.8 -36.98 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.546 -176.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.99 -25.46 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 -178.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 25.0 111.218 176.3 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.46 0 N-CA-C 110.309 -1.117 . . . . 25.0 110.309 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.13 -35.4 80.63 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.553 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.91 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.117 0.485 . . . . 25.0 110.964 -179.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.99 -37.51 87.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.779 -0.576 . . . . 25.0 111.669 178.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.01 -15.66 62.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 173.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -94.66 -21.73 18.6 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.551 0.691 . . . . 25.0 110.37 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -84.26 88.73 7.25 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -50.16 -35.75 27.44 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 114.761 1.393 . . . . 25.0 114.761 -176.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -61.2 -38.82 87.92 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.574 -0.703 . . . . 25.0 111.37 177.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -70.42 -40.74 73.67 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 174.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.76 -39.38 79.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -57.37 -45.7 84.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.748 0.704 . . . . 25.0 111.023 178.242 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -68.18 -44.9 74.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.847 0.832 . . . . 25.0 111.13 177.091 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.75 -26.07 64.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -174.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -55.29 -45.21 76.21 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.119 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -76.57 -38.72 54.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.33 93.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -178.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -41.58 97.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.039 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -72.01 -38.67 69.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 t -70.77 -13.82 62.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.107 0.48 . . . . 25.0 111.645 -176.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -13.53 61.96 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.856 -0.528 . . . . 25.0 110.66 174.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.32 79.54 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.13 156.37 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -175.156 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -115.9 84.39 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.47 136.8 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.88 133.95 48.96 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 107.353 -1.351 . . . . 25.0 107.353 178.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -48.69 38.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -178.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.05 80.66 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.85 -34.68 66.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.35 -54.25 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.185 0.517 . . . . 25.0 110.303 178.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.01 -23.02 66.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -62.07 -38.06 87.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -77.82 -23.8 48.93 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.683 -0.636 . . . . 25.0 112.145 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.34 -33.16 75.31 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 171.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -25.38 53.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.969 -0.457 . . . . 25.0 111.529 178.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -66.57 -42.16 87.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.405 176.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.55 -34.72 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 177.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -41.75 96.55 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 111.357 0.132 . . . . 25.0 111.357 178.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -33.93 38.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.903 -0.719 . . . . 25.0 112.298 -177.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -74.09 -34.29 63.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.58 0.705 . . . . 25.0 110.017 179.098 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.87 80.51 49.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.079 178.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -70.26 -17.08 35.55 Favored 'Trans proline' 0 C--N 1.345 0.345 0 CA-C-O 121.606 0.586 . . . . 25.0 112.632 -178.321 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -14.57 58.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.857 176.315 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -68.71 -51.52 20.96 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 121.446 -0.784 . . . . 25.0 111.804 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -69.61 -22.83 32.19 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 113.764 -3.691 . . . . 25.0 113.703 175.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -63.74 -36.2 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.652 0.381 . . . . 25.0 111.443 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.54 -18.52 61.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.739 0.304 . . . . 25.0 111.277 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.16 58.29 Favored Glycine 0 C--O 1.218 -0.904 0 N-CA-C 114.678 0.631 . . . . 25.0 114.678 176.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -135.98 133.91 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.096 0.948 . . . . 25.0 110.321 -176.059 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 mm -115.09 114.59 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.579 1.18 . . . . 25.0 109.658 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -154.37 160.37 41.65 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.42 -1.263 . . . . 25.0 109.243 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.15 -31.68 54.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -67.32 -33.36 75.11 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -79.94 -36.97 35.48 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.636 -0.711 . . . . 25.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -63.73 -32.82 74.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.416 178.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -60.33 -43.14 96.69 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 119.449 -0.31 . . . . 25.0 111.391 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.16 -32.08 63.98 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 175.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.21 -40.15 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.357 0.599 . . . . 25.0 109.884 -178.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.62 55.75 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.848 -0.901 . . . . 25.0 110.848 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.03 -40.73 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -44.88 95.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 25.0 111.975 178.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.31 -38.2 82.93 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.601 -0.44 . . . . 25.0 109.998 177.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.78 -43.77 71.49 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.1 -0.24 . . . . 25.0 111.071 -177.01 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -62.32 -42.33 99.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.275 0.559 . . . . 25.0 109.941 178.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -39.62 91.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.038 0.446 . . . . 25.0 110.03 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -64.21 -38.95 92.87 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.563 -0.289 . . . . 25.0 110.385 177.347 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.26 -29.79 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.915 -0.49 . . . . 25.0 111.226 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -70.05 -42.28 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -177.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.33 -3.94 6.15 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 116.345 1.98 . . . . 25.0 116.345 -174.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.23 -170.9 45.49 Favored Glycine 0 C--O 1.243 0.658 0 C-N-CA 120.553 -0.832 . . . . 25.0 113.159 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.14 -7.75 22.05 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.744 1.629 . . . . 25.0 115.663 -175.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.08 -22.8 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.485 177.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.8 -38.11 9.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -127.16 130.98 23.65 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.95 152.73 24.96 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 115.759 -2.361 . . . . 25.0 111.654 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.68 -22.75 31.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 O-C-N 121.763 -0.586 . . . . 25.0 110.849 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -69.68 -19.49 63.59 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.871 -0.518 . . . . 25.0 111.204 177.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.72 69.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.941 178.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -81.58 -31.12 32.72 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -177.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.317 -1.31 . . . . 25.0 109.799 178.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.7 -43.95 91.84 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.494 176.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -55.49 -42.01 73.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 25.0 111.068 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -66.58 -28.0 68.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.821 0.675 . . . . 25.0 112.821 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.02 -41.25 82.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.485 0.659 . . . . 25.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.08 -30.95 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 178.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -56.59 -51.63 67.91 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -66.9 -26.96 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.644 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.31 -43.37 81.83 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.215 -0.303 . . . . 25.0 111.151 177.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.52 -39.1 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 178.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.89 -30.83 68.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.267 0.627 . . . . 25.0 110.832 -178.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.9 33.79 5.47 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.42 0.526 . . . . 25.0 112.42 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -62.98 -20.48 65.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.959 0.409 . . . . 25.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.02 -40.48 95.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.496 0.718 . . . . 25.0 112.411 -179.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.93 8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.424 0.631 . . . . 25.0 110.446 -177.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -129.02 80.43 72.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.169 179.424 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.2 -18.33 39.7 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.581 -1.146 . . . . 25.0 113.957 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.69 -42.28 95.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -84.74 -26.2 6.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 C-N-CA 119.264 -0.974 . . . . 25.0 109.899 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttp -63.44 -36.2 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -177.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.7 69.31 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.655 176.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -27.21 60.62 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.6 -47.84 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 175.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.64 79.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.45 -36.42 82.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.099 -0.24 . . . . 25.0 111.509 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -57.7 -44.2 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -62.07 -45.0 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.305 0.574 . . . . 25.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.14 -38.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.036 -177.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.264 -0.272 . . . . 25.0 110.381 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mttm . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.858 0.361 . . . . 25.0 110.927 178.158 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.177 0 N-CA-C 112.212 -0.355 . . . . 25.0 112.212 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.11 -33.57 74.7 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 120.599 0.238 . . . . 25.0 111.529 178.045 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.62 -38.12 73.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.33 0.586 . . . . 25.0 110.473 178.317 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.49 -34.5 76.02 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.652 -0.655 . . . . 25.0 111.039 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -78.82 -15.13 58.77 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.116 -0.365 . . . . 25.0 111.906 174.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -85.93 -30.26 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 177.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -76.28 92.42 3.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.795 179.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -48.28 -36.7 14.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.42 -35.0 73.18 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.673 0.749 . . . . 25.0 111.836 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.7 -36.26 23.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.357 -0.838 . . . . 25.0 109.781 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.37 -36.64 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.059 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -53.87 -45.2 70.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.372 0.606 . . . . 25.0 111.004 175.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.497 HE22 ' HB3' ' A' ' 101' ' ' ALA . 3.3 mt-30 -75.63 -40.12 56.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.757 179.068 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.03 -24.97 66.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.96 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 176.058 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.76 -41.69 18.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 176.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.33 75.97 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.214 1.19 . . . . 25.0 114.214 -177.144 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.45 -40.99 96.52 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.72 -40.6 79.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -178.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -71.81 -18.87 62.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.486 0.585 . . . . 25.0 111.56 -175.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HD3' HD21 ' A' ' 89' ' ' LEU . 23.6 mmm180 -73.54 -23.88 60.05 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 121.038 -0.265 . . . . 25.0 110.575 173.813 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.99 5.0 74.11 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 111.796 -0.522 . . . . 25.0 111.796 -176.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -84.84 124.87 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.74 -1.208 . . . . 25.0 107.74 -176.487 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -80.9 84.35 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.531 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.76 148.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 25.0 109.854 176.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -79.5 156.06 27.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -44.45 90.46 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.467 175.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -39.03 80.68 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.745 0.307 . . . . 25.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -68.79 -38.94 80.32 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 -176.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.08 -54.13 10.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.479 . . . . 25.0 110.842 -178.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.05 -20.03 66.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.016 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.69 -40.62 69.32 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.484 0.659 . . . . 25.0 109.975 173.293 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -74.64 -23.79 58.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.11 -0.369 . . . . 25.0 111.814 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.72 -31.17 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 173.547 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.14 -22.72 52.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.635 -0.665 . . . . 25.0 111.062 175.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -68.24 -33.8 75.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 174.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.36 -45.34 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 172.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -61.28 -36.64 80.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.351 -172.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -53.44 10.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -73.09 -26.38 61.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.559 0.695 . . . . 25.0 111.762 -177.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 59' ' ' VAL . 67.4 m -128.38 74.93 79.63 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -178.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.79 -16.83 37.61 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.192 -0.738 . . . . 25.0 111.74 177.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -9.43 59.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 112.678 176.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -73.18 -53.27 4.94 Favored Pre-proline 0 CA--C 1.543 0.701 0 O-C-N 121.3 -0.875 . . . . 25.0 111.032 177.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -69.51 -15.76 38.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 113.872 -3.619 . . . . 25.0 113.284 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -64.75 -38.67 91.78 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.457 0.17 . . . . 25.0 110.801 175.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.3 -34.95 73.36 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.53 31.1 62.87 Favored Glycine 0 C--O 1.23 -0.144 0 CA-C-N 115.302 -0.863 . . . . 25.0 113.093 178.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.8 m -128.26 130.22 47.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 -177.331 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -105.72 107.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 123.134 1.445 . . . . 25.0 109.702 -176.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -145.82 159.37 43.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.524 -2.028 . . . . 25.0 105.524 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.95 -28.43 41.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -67.47 -37.14 82.46 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.284 178.547 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -72.84 -37.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 176.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -64.48 -27.59 69.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -55.23 -51.51 66.35 Favored 'General case' 0 CA--C 1.483 -1.627 0 CA-C-O 121.245 0.545 . . . . 25.0 110.088 175.692 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -52.72 -30.4 32.17 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.427 -1.715 . . . . 25.0 112.391 -175.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.411 ' HA ' ' SG ' ' A' ' 42' ' ' CYS . 44.8 t -71.71 -44.26 69.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.28 0.562 . . . . 25.0 111.772 178.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.38 56.11 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.05 -37.65 88.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 178.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.25 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 25.0 111.336 176.155 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -64.16 -37.34 87.13 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -63.65 -46.52 85.23 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.071 0.232 . . . . 25.0 110.411 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.1 -35.36 71.79 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.1 -176.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.98 -37.9 85.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 176.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -65.42 -42.45 92.47 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.088 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -63.11 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.37 0.668 . . . . 25.0 111.54 -178.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 m -68.21 -40.81 82.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 25.0 112.003 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -126.98 -47.94 1.49 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 117.968 2.581 . . . . 25.0 117.968 -176.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.22 -174.16 22.63 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 121.37 -0.443 . . . . 25.0 113.738 -175.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.03 -12.24 30.2 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.312 2.674 . . . . 25.0 115.118 -177.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -81.75 -10.97 59.21 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.124 -0.36 . . . . 25.0 110.625 177.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -99.52 -43.68 6.43 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.397 -0.365 . . . . 25.0 111.649 175.676 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.45 131.03 24.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 173.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.533 ' HB2' HG22 ' A' ' 78' ' ' THR . 88.9 Cg_endo -81.24 152.6 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 115.375 -2.616 . . . . 25.0 113.089 -179.42 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -22.38 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 122.001 -0.437 . . . . 25.0 111.418 177.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 76' ' ' PRO . 8.6 t -69.88 -24.17 63.36 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.575 -0.703 . . . . 25.0 111.293 177.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.38 85.73 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.948 -0.701 . . . . 25.0 110.296 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -72.36 -33.38 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 25.0 110.025 177.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.1 t -66.92 -45.09 78.98 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.8 -40.7 92.15 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.26 -38.33 71.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -67.16 -35.21 79.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 25.0 112.086 -178.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.49 -43.62 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.929 0.395 . . . . 25.0 110.045 179.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.99 -30.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.88 -51.13 70.29 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.1 -29.71 69.54 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.408 -0.517 . . . . 25.0 111.003 -179.198 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.572 HD22 HG11 ' A' ' 99' ' ' VAL . 28.2 mt -66.5 -39.26 88.6 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 178.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.66 -41.08 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.25 -38.81 77.63 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.281 0.562 . . . . 25.0 110.369 -177.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -115.14 35.14 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.254 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.17 -21.64 66.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.54 0.686 . . . . 25.0 109.663 176.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.45 -29.12 69.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.97 8.62 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 121.5 0.666 . . . . 25.0 110.076 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -123.21 77.87 52.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.1 -18.15 45.66 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 117.941 -0.906 . . . . 25.0 114.414 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -63.88 -50.81 67.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 177.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.572 HG11 HD22 ' A' ' 89' ' ' LEU . 3.1 m -77.49 -25.18 14.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.166 -176.449 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.21 -36.79 73.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.263 0.483 . . . . 25.0 110.299 176.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.497 ' HB3' HE22 ' A' ' 14' ' ' GLN . . . -66.51 -31.95 72.99 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.142 -0.974 . . . . 25.0 110.416 175.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.5 60.53 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.64 -48.2 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 174.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.62 82.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.447 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -65.7 -34.35 77.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.5 m -64.73 -40.54 95.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.25 -42.86 99.35 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.401 -0.519 . . . . 25.0 110.802 175.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -58.59 -45.92 88.05 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.008 -0.432 . . . . 25.0 110.899 178.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.25 -38.86 78.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.684 -175.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.69 -40.57 79.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.1 mmtp . . . . . 0 C--O 1.215 -0.75 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 174.424 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.321 0 N-CA-C 114.904 0.722 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -62.66 -37.16 85.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.83 -39.57 63.95 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.271 0.557 . . . . 25.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.64 -41.78 95.6 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.651 -0.656 . . . . 25.0 110.969 176.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -69.74 -11.36 60.8 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -94.9 -20.5 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.609 0.719 . . . . 25.0 109.53 178.558 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -80.86 84.21 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.06 -31.23 40.5 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -172.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.83 -36.33 83.19 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.447 -0.783 . . . . 25.0 111.535 177.426 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -75.17 -43.39 52.58 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.81 -40.59 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.955 176.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -46.12 80.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.653 0.381 . . . . 25.0 111.858 -179.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -37.97 70.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.73 -23.46 67.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -50.87 -35.62 33.66 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 174.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -82.19 -46.85 13.21 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 116.714 -0.221 . . . . 25.0 111.023 176.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.97 90.94 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.399 1.259 . . . . 25.0 114.399 -175.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -37.55 87.9 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.66 -39.98 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 p -68.15 -16.26 63.92 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -16.58 62.05 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.047 -0.408 . . . . 25.0 110.207 175.152 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.08 23.72 77.56 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.799 175.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -126.68 147.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 25.0 111.958 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.03 84.86 6.39 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.86 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.32 134.22 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 178.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -87.39 163.27 16.86 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.35 -42.72 87.54 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.997 -0.439 . . . . 25.0 110.953 174.538 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.93 84.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.2 0.524 . . . . 25.0 109.987 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.67 -46.54 63.03 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -175.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.6 tp -67.75 -54.03 22.52 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.391 0.615 . . . . 25.0 112.318 -175.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.69 -19.97 65.87 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -59.01 -41.6 88.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 119.639 -0.824 . . . . 25.0 108.968 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -74.71 -25.71 59.32 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 120.383 -0.527 . . . . 25.0 112.204 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.64 -38.27 90.44 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.43 -34.36 75.85 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.96 0.41 . . . . 25.0 111.216 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.28 -37.11 86.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 25.0 112.339 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -66.05 -28.53 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.922 -0.711 . . . . 25.0 111.2 -178.909 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -64.44 -41.41 96.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.814 -0.754 . . . . 25.0 109.387 -175.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.38 -43.86 89.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.013 -0.994 . . . . 25.0 110.538 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -29.74 50.15 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.074 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 87.4 m -128.0 77.43 76.59 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.363 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.31 -18.81 29.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 CA-C-O 121.45 0.521 . . . . 25.0 112.405 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.81 -17.13 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.352 177.043 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.8 -53.14 15.99 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.371 -0.831 . . . . 25.0 111.338 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.18 -19.42 29.6 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.894 -3.604 . . . . 25.0 113.83 176.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.27 -40.2 93.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 25.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.86 -28.0 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.427 0.632 . . . . 25.0 109.783 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.67 0.39 8.4 Favored Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.018 1.167 . . . . 25.0 116.018 176.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 m -102.69 134.23 46.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -175.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.36 84.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 123.74 1.733 . . . . 25.0 109.476 -174.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.12 153.82 19.25 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 175.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' HE ' ' A' ' 57' ' ' ARG . 10.4 tp -67.38 -28.14 41.21 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 171.029 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.99 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.218 0.533 . . . . 25.0 110.368 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -77.94 -34.89 50.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -62.23 -28.84 69.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.258 176.258 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HE ' HG13 ' A' ' 53' ' ' ILE . 18.8 mmt85 -56.12 -47.24 78.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 175.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -67.35 -21.43 65.63 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.02 -39.2 79.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 175.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.37 60.61 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.004 -0.838 . . . . 25.0 111.004 178.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.8 -36.79 82.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -43.74 90.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.448 . . . . 25.0 111.142 179.295 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.87 -37.85 89.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.239 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -63.08 -45.32 92.68 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -179.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -70.99 -39.06 72.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.394 0.616 . . . . 25.0 111.821 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.18 -37.19 86.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.36 -38.93 78.33 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 121.222 0.534 . . . . 25.0 110.436 175.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.09 -35.7 80.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.212 0.53 . . . . 25.0 111.066 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -79.73 -41.28 27.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -177.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.49 2.52 10.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 -173.173 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 -174.57 54.95 Favored Glycine 0 C--O 1.242 0.645 0 N-CA-C 115.344 0.898 . . . . 25.0 115.344 178.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.64 -5.4 17.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.25 1.966 . . . . 25.0 115.114 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.73 -8.74 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.264 0.554 . . . . 25.0 111.889 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -115.78 -34.6 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.553 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.39 131.01 24.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 173.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' THR . 79.0 Cg_endo -84.75 157.51 11.98 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 117.198 -1.401 . . . . 25.0 112.592 175.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.33 -23.04 32.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 121.684 -0.635 . . . . 25.0 111.468 176.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 76' ' ' PRO . 9.7 t -71.38 -20.84 62.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.456 -0.777 . . . . 25.0 111.736 177.512 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -37.72 84.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.745 -0.782 . . . . 25.0 109.892 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.79 -32.24 69.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.527 0.679 . . . . 25.0 110.112 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.8 t -69.77 -43.87 71.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.861 -0.608 . . . . 25.0 109.537 -178.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.76 -38.44 83.45 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.089 176.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -59.21 -36.43 75.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.028 0.442 . . . . 25.0 110.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -35.31 80.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.871 -0.604 . . . . 25.0 110.866 179.472 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.91 -40.52 95.21 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.343 -0.389 . . . . 25.0 111.155 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.24 -30.35 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 121.283 -0.886 . . . . 25.0 109.019 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.29 -49.5 76.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.909 -0.494 . . . . 25.0 110.416 178.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.6 -31.59 72.71 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.87 -0.732 . . . . 25.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.63 -42.54 77.89 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.79 -40.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.754 -0.778 . . . . 25.0 109.392 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.39 -34.44 76.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.835 0.35 . . . . 25.0 110.546 -175.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -112.64 32.83 5.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.912 0.387 . . . . 25.0 111.561 178.245 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.8 -18.14 65.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.513 0.673 . . . . 25.0 109.499 176.13 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.37 -26.54 68.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.149 -0.932 . . . . 25.0 113.48 178.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.15 8.61 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.476 0.655 . . . . 25.0 110.059 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -126.12 83.76 62.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.26 -19.28 38.73 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 117.808 -0.995 . . . . 25.0 114.161 -175.097 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -64.86 -54.35 32.33 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 177.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -72.83 -28.07 26.37 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.881 -1.127 . . . . 25.0 110.697 -176.372 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -40.53 92.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.275 -0.89 . . . . 25.0 110.743 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.06 68.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.939 0.4 . . . . 25.0 110.517 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.98 49.38 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 99' ' ' VAL . 75.4 t -63.32 -48.64 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 178.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.67 96.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.245 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -63.36 -37.4 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -68.01 -37.69 81.74 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 -178.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.03 -45.3 91.06 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.568 0.622 . . . . 25.0 111.265 176.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.15 -40.3 95.5 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.558 0.694 . . . . 25.0 110.476 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.15 -41.5 87.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.04 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.73 -38.08 79.92 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.926 -0.484 . . . . 25.0 111.987 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.793 0.33 . . . . 25.0 111.292 179.626 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.337 0 N-CA-C 113.056 -0.018 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -64.64 -44.5 90.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.15 -36.21 79.29 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 120.841 0.353 . . . . 25.0 110.193 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.66 -36.07 75.7 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.775 -0.578 . . . . 25.0 110.688 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -66.57 -26.57 67.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.117 1.525 . . . . 25.0 115.117 170.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -85.69 -23.76 27.28 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.437 0.637 . . . . 25.0 110.551 179.585 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -80.87 82.01 6.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -174.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.08 -33.99 20.29 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 115.503 1.668 . . . . 25.0 115.503 -171.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.38 67.19 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.17 -0.956 . . . . 25.0 112.025 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -83.02 -37.43 23.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.31 -38.9 57.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 173.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -62.36 -39.35 92.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -64.53 -40.25 95.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 173.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 39.2 mt -70.1 -23.49 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.24 0.829 . . . . 25.0 113.24 178.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -80.14 -47.27 15.01 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.674 175.221 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.35 -43.8 98.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -174.572 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.45 -39.95 95.85 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 178.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -67.88 -40.49 83.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.66 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.484 HG21 HE21 ' A' ' 98' ' ' GLN . 20.3 p -69.81 -25.84 63.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -175.15 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -14.14 59.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 119.623 -0.831 . . . . 25.0 109.968 175.232 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 16.99 77.14 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 121.393 -0.432 . . . . 25.0 113.422 176.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.62 123.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.124 0.964 . . . . 25.0 109.63 -176.199 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -83.0 84.49 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.648 -0.705 . . . . 25.0 112.01 -176.578 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.6 m -122.11 156.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -79.07 147.51 32.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -47.84 79.94 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 122.411 -0.181 . . . . 25.0 111.424 177.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.03 74.03 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.397 -0.365 . . . . 25.0 110.778 179.433 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -71.39 -32.81 68.87 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.969 -0.382 . . . . 25.0 109.969 -178.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -54.03 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.061 -0.655 . . . . 25.0 110.874 178.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.17 -20.33 62.6 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 178.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -54.09 -38.56 65.49 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.999 -0.438 . . . . 25.0 110.079 171.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -79.59 -23.87 42.42 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.088 -0.382 . . . . 25.0 111.862 -179.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.1 -26.95 63.26 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 173.063 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.6 -31.22 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.592 0.71 . . . . 25.0 109.608 176.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.23 -28.15 66.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.522 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -64.79 -33.19 61.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 C-N-CA 119.4 -0.92 . . . . 25.0 108.835 176.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -67.78 -36.45 80.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.26 -32.55 72.36 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.638 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 m -97.23 -33.89 11.3 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.405 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -124.44 82.48 58.42 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -173.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.46 -12.78 29.88 Favored 'Trans proline' 0 C--N 1.344 0.31 0 CA-C-O 121.541 0.559 . . . . 25.0 111.609 177.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -9.85 53.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.725 177.793 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.39 -49.73 82.44 Favored Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 121.427 -0.795 . . . . 25.0 111.523 176.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -69.12 -19.73 38.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 114.076 -3.483 . . . . 25.0 114.309 176.338 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.85 -35.3 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.709 0.231 . . . . 25.0 110.934 178.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.53 -31.39 70.59 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.165 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.76 33.56 Favored Glycine 0 C--O 1.229 -0.188 0 N-CA-C 115.442 0.937 . . . . 25.0 115.442 174.642 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.8 m -127.63 127.39 43.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.49 98.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 123.145 1.45 . . . . 25.0 108.882 -174.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -138.95 164.44 29.7 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.987 -2.227 . . . . 25.0 104.987 179.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.09 -28.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 111.388 0.144 . . . . 25.0 111.388 -179.044 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -66.42 -35.61 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.699 -0.625 . . . . 25.0 110.33 177.119 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -78.27 -40.46 36.97 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 177.067 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -64.28 -31.87 73.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.692 0.282 . . . . 25.0 111.189 -179.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -61.2 -43.56 98.69 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 119.311 -0.376 . . . . 25.0 110.967 175.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -57.41 -33.36 67.79 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 111.664 0.246 . . . . 25.0 111.664 177.196 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.26 -41.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 25.0 110.263 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -36.8 61.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.568 -0.825 . . . . 25.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.74 -40.95 98.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -44.87 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.428 -0.805 . . . . 25.0 111.744 177.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -61.0 -34.01 74.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.689 -0.405 . . . . 25.0 110.386 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.51 -43.44 97.17 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.408 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.29 -36.13 66.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.607 0.718 . . . . 25.0 111.264 179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -35.95 78.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.02 -40.13 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.544 177.174 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.6 -39.36 93.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.08 -0.387 . . . . 25.0 111.713 -178.259 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 70' ' ' PHE . 2.1 t -85.88 -20.09 29.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -172.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.445 ' CD2' HG23 ' A' ' 69' ' ' THR . 53.8 m-85 -119.16 -11.55 9.59 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 -179.522 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.92 178.85 52.69 Favored Glycine 0 C--O 1.244 0.734 0 C-N-CA 120.884 -0.674 . . . . 25.0 114.014 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.5 -12.28 29.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.255 1.97 . . . . 25.0 115.407 -176.387 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -74.53 -30.51 61.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.221 0.534 . . . . 25.0 110.968 -178.68 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.04 -40.08 10.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.602 -178.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.09 130.8 24.5 Favored Pre-proline 0 C--O 1.22 -0.489 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 175.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.12 154.5 11.07 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 115.508 -2.528 . . . . 25.0 112.43 178.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.27 -20.49 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.688 -0.632 . . . . 25.0 110.519 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -73.6 -17.2 61.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.673 -0.642 . . . . 25.0 111.1 177.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.23 82.62 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.238 -0.585 . . . . 25.0 109.444 178.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.3 -31.2 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.207 0.527 . . . . 25.0 111.185 178.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -71.75 -43.82 65.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 178.422 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.23 -41.74 96.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.607 . . . . 25.0 110.039 176.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.03 -39.52 82.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.779 0.323 . . . . 25.0 110.503 178.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.51 -28.29 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.986 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.7 -40.8 84.3 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-O 120.976 0.417 . . . . 25.0 110.023 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.18 -31.03 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.181 -0.949 . . . . 25.0 109.402 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -56.09 -48.68 75.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.352 -0.385 . . . . 25.0 110.774 179.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.25 -30.86 70.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.776 -0.37 . . . . 25.0 110.423 -179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 99' ' ' VAL . 71.4 mt -70.58 -36.01 73.35 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.62 -42.93 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.34 -33.27 69.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.11 0.481 . . . . 25.0 110.998 -177.039 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 35.99 4.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.887 178.298 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -64.78 -20.12 66.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.413 0.625 . . . . 25.0 110.811 178.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.19 -30.28 69.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 25.0 113.304 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.4 10.33 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.561 0.696 . . . . 25.0 110.275 -179.275 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.36 78.09 61.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 178.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.62 -23.93 36.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 N-CA-C 115.527 1.318 . . . . 25.0 115.527 -173.582 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.484 HE21 HG21 ' A' ' 21' ' ' THR . 1.9 pm0 -67.22 -35.78 80.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.231 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 89' ' ' LEU . 1.8 m -84.91 -29.81 6.72 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 C-N-CA 120.118 -0.633 . . . . 25.0 110.943 177.168 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -61.21 -41.52 96.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.618 0.644 . . . . 25.0 110.179 -179.458 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.072 0.463 . . . . 25.0 110.434 176.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 -31.01 42.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.53 -49.64 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.561 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.9 96.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.42 -37.84 87.38 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.114 178.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m -67.57 -38.54 84.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.378 -0.827 . . . . 25.0 108.813 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -61.02 -39.63 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.043 -0.411 . . . . 25.0 110.574 176.294 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.91 -46.1 79.52 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.213 0.53 . . . . 25.0 111.617 177.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -34.79 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 -177.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.43 -37.54 87.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 177.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp . . . . . 0 N--CA 1.475 0.814 0 CA-C-N 118.21 0.459 . . . . 25.0 111.23 178.472 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 CA-C-O 120.198 -0.223 . . . . 25.0 113.414 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.494 0.647 . . . . 25.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.07 -31.37 62.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.21 0.529 . . . . 25.0 110.135 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.44 -36.69 83.19 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.73 -0.606 . . . . 25.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -26.43 66.29 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.489 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -78.23 -27.06 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.972 0.891 . . . . 25.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.15 75.48 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.841 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.13 -32.33 15.7 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -175.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -64.15 -30.45 71.51 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.419 -0.801 . . . . 25.0 112.07 178.404 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -86.05 -37.84 18.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.86 -33.22 34.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.905 175.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 4.3 tm-20 -50.8 -52.0 45.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 178.082 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.46 -28.76 67.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.764 -0.585 . . . . 25.0 111.147 178.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 35.1 mt -71.75 -23.59 61.63 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.698 -0.626 . . . . 25.0 111.966 175.737 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 52.8 mttm -60.92 -41.42 96.16 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 177.53 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.2 -46.65 40.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.388 -0.824 . . . . 25.0 111.123 176.085 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.69 -45.0 95.86 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -174.278 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.77 -40.84 97.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 178.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -66.76 -43.54 83.81 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 -178.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -69.36 -20.92 63.84 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.7 0.259 . . . . 25.0 111.7 -176.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.87 -20.23 62.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.789 0.328 . . . . 25.0 111.248 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.55 11.69 83.8 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 114.539 0.576 . . . . 25.0 114.539 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.97 131.49 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.627 0.727 . . . . 25.0 109.096 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.0 84.28 7.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.591 -175.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -101.01 135.2 38.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -65.74 135.78 55.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.06 65.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -176.044 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.36 86.72 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 120.798 0.332 . . . . 25.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -74.16 -26.17 60.15 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.383 -0.198 . . . . 25.0 111.183 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.66 -52.86 18.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 176.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.28 -41.94 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.334 0.588 . . . . 25.0 110.247 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -77.29 -23.7 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.883 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.98 -19.31 64.14 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -31.08 23.77 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.551 -0.718 . . . . 25.0 110.167 173.596 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.02 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -39.43 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.537 -0.727 . . . . 25.0 109.278 176.685 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -64.81 -38.01 89.53 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.06 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.28 -50.79 71.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.153 0.501 . . . . 25.0 111.922 -177.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 m -76.75 -24.89 52.97 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.435 0.636 . . . . 25.0 111.659 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -126.59 80.14 70.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.791 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.51 -9.14 24.64 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-O 122.0 0.75 . . . . 25.0 112.212 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.33 -9.97 48.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.69 175.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.04 -48.54 27.59 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.763 -0.586 . . . . 25.0 111.492 177.763 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -69.41 -20.93 35.83 Favored 'Trans proline' 0 C--N 1.358 1.027 1 C-N-CA 112.529 -4.514 . . . . 25.0 112.863 174.355 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.39 -37.21 74.48 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -78.17 -18.94 54.9 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.837 -0.539 . . . . 25.0 110.013 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.91 19.75 30.93 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 116.846 1.498 . . . . 25.0 116.846 170.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 m -130.86 134.07 46.47 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 -174.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.4 mt -124.48 103.11 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 122.522 1.153 . . . . 25.0 110.503 -171.497 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -144.3 163.49 33.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.433 -2.062 . . . . 25.0 105.433 174.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.07 -28.81 45.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.435 0.16 . . . . 25.0 111.241 -176.617 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.95 -38.43 85.83 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.976 -0.452 . . . . 25.0 110.807 177.045 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -85.56 -36.02 20.71 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 120.689 0.28 . . . . 25.0 110.79 179.167 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -62.71 -30.23 71.26 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 179.462 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -61.4 -40.67 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.055 -0.403 . . . . 25.0 110.835 176.908 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.52 -31.4 66.01 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 176.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.36 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.32 73.49 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 178.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 177.459 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -42.78 95.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.064 177.473 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.55 -37.46 86.23 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.72 -39.78 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.301 -0.159 . . . . 25.0 111.128 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.16 -44.58 83.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.951 0.881 . . . . 25.0 109.176 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.2 -39.24 94.06 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.209 178.177 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.53 -44.08 75.35 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 113.134 0.791 . . . . 25.0 113.134 178.59 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -30.7 70.08 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.922 0.783 . . . . 25.0 112.373 -171.461 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -61.54 -40.84 96.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 178.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -127.35 -1.85 6.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.825 2.158 . . . . 25.0 116.825 -174.139 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.82 -153.18 45.24 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 -174.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.75 -5.62 17.25 Favored 'Trans proline' 0 C--N 1.346 0.424 0 CA-C-N 118.499 1.15 . . . . 25.0 114.311 -178.227 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.28 -17.87 64.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.21 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -39.6 3.45 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.44 130.84 24.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 174.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.05 151.54 39.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 114.674 -3.084 . . . . 25.0 111.151 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.14 -20.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 121.774 -0.579 . . . . 25.0 110.938 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -72.58 -21.15 61.19 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.721 -0.612 . . . . 25.0 111.216 176.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.45 83.5 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 119.911 -0.716 . . . . 25.0 109.278 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -71.59 -30.22 65.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.108 0.48 . . . . 25.0 110.788 177.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -72.18 -45.34 60.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.05 -44.66 94.52 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.185 175.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -60.48 -41.22 93.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.1 -30.88 71.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.117 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 25.0 109.928 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.83 -30.44 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -57.92 -45.2 86.89 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.977 -0.452 . . . . 25.0 111.43 -178.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.4 -28.41 62.97 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.673 -179.521 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.6 -39.55 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.34 -0.225 . . . . 25.0 111.462 179.443 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.1 mt -73.52 -40.47 55.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.263 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.41 -32.13 72.92 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.801 0.334 . . . . 25.0 110.765 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -115.68 36.26 4.07 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.781 178.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -61.31 -22.44 64.88 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.169 0.509 . . . . 25.0 110.869 178.276 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.49 -27.92 69.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.934 1.087 . . . . 25.0 113.934 -179.355 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.55 8.95 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.564 0.697 . . . . 25.0 110.055 179.537 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -125.75 77.96 69.54 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.71 -22.94 27.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 117.358 -1.295 . . . . 25.0 115.182 -174.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -39.19 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 179.58 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -81.87 -31.22 10.58 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.425 0 C-N-CA 119.605 -0.838 . . . . 25.0 109.434 178.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -40.71 94.53 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.868 0.758 . . . . 25.0 111.039 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.28 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.92 0.39 . . . . 25.0 110.391 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -33.64 63.29 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.369 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.51 -47.08 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.36 -46.91 84.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.05 -35.68 79.33 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 179.233 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -67.15 -40.07 86.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -61.88 -40.17 94.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.726 -0.609 . . . . 25.0 111.2 175.366 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -61.62 -45.14 95.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.938 0.399 . . . . 25.0 110.475 179.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -67.47 -41.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.038 -178.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.28 -37.6 86.15 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.981 -0.449 . . . . 25.0 110.888 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttt . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 179.221 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.477 0 N-CA-C 112.958 -0.057 . . . . 25.0 112.958 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -70.87 -28.04 64.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.968 -0.725 . . . . 25.0 109.988 -178.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.43 -43.77 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.673 0.749 . . . . 25.0 109.679 176.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.14 -36.37 77.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.66 -0.7 . . . . 25.0 111.29 176.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -62.05 -10.86 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 175.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.1 -20.26 18.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.24 0.473 . . . . 25.0 111.094 178.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -80.75 92.18 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.9 -36.19 47.96 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.702 1.371 . . . . 25.0 114.702 -173.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.59 -34.43 75.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.335 0.588 . . . . 25.0 112.381 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -83.21 -39.79 20.49 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 178.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.51 -38.86 51.04 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.535 174.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -61.2 -38.26 85.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -67.1 -38.27 85.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.828 -0.749 . . . . 25.0 109.116 175.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 42.8 mt -69.75 -23.69 63.42 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 176.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.22 -35.03 76.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 177.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -83.9 -46.51 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.405 -0.361 . . . . 25.0 111.484 175.514 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -59.91 -40.99 90.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -173.641 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.1 -37.25 86.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -70.49 -43.85 68.86 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 179.452 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.9 p -68.96 -12.4 61.61 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -175.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -24.15 63.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 174.203 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.2 76.92 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 121.123 -0.561 . . . . 25.0 113.53 178.185 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.34 151.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -178.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -80.91 84.91 6.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.416 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.24 152.97 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -104.78 145.0 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -178.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -50.99 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.09 77.9 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.247 -177.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -73.9 -36.4 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 -178.088 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.79 -53.29 56.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.45 -21.49 66.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 178.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -65.09 -30.9 71.88 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.093 -1.004 . . . . 25.0 110.349 176.122 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -79.77 -23.82 41.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.123 -0.361 . . . . 25.0 111.12 176.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -73.08 -30.67 63.86 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 175.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.02 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 25.0 110.358 177.778 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.2 -25.34 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.209 178.257 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -47.42 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 174.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -67.05 -43.56 82.42 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.963 -169.161 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.92 -21.64 60.86 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -175.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -95.41 -32.97 12.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 25.0 111.317 176.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 77.66 73.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 123.469 0.708 . . . . 25.0 109.886 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.63 -19.94 36.08 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 117.846 -0.969 . . . . 25.0 112.136 -178.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.37 -16.42 60.38 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.274 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.92 -51.08 20.09 Favored Pre-proline 0 N--CA 1.467 0.406 0 O-C-N 121.42 -0.8 . . . . 25.0 113.037 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.52 -20.67 47.34 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 113.184 -4.077 . . . . 25.0 113.474 177.796 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.07 -15.74 63.04 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.924 0.342 . . . . 25.0 111.924 178.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.6 -20.59 56.6 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.951 -0.468 . . . . 25.0 110.427 176.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.08 16.37 40.49 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 114.671 0.628 . . . . 25.0 114.671 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.9 m -139.29 134.14 32.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -174.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.09 100.8 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.81 1.291 . . . . 25.0 109.531 -176.146 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 158.09 44.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 176.846 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.43 -29.66 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -173.153 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -72.52 -32.22 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -78.13 -36.19 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -62.98 -26.91 69.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.327 177.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -54.43 -45.58 73.06 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -53.06 -34.01 54.58 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -177.718 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.29 -40.52 82.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.604 . . . . 25.0 110.178 -177.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.65 -33.69 41.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.019 -179.32 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -39.72 94.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.17 -45.26 92.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.656 178.001 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.43 -40.24 90.35 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.36 -43.41 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.307 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.0 -46.16 90.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.48 . . . . 25.0 109.745 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.302 0.572 . . . . 25.0 110.219 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.82 -39.08 93.0 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.86 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -34.94 70.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.756 -0.59 . . . . 25.0 109.611 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.5 m -65.7 -46.21 79.86 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 179.218 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 2.41 6.39 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 119.052 2.982 . . . . 25.0 119.052 -173.134 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.97 179.42 48.83 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 116.871 1.509 . . . . 25.0 116.871 175.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.19 -9.64 26.41 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.397 2.731 . . . . 25.0 115.307 -176.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.5 -20.04 60.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.033 0.444 . . . . 25.0 111.239 177.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -108.59 -36.99 6.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.345 -171.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.64 131.09 24.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 168.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.9 Cg_endo -82.48 152.06 15.43 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 115.62 -2.454 . . . . 25.0 113.14 -179.278 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.85 -22.93 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.857 -0.527 . . . . 25.0 111.734 177.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 76' ' ' PRO . 1.6 t -70.15 -24.91 63.24 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.584 -0.698 . . . . 25.0 111.157 178.29 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.95 79.67 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 120.203 -0.599 . . . . 25.0 110.69 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -70.4 -33.84 71.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.563 0.697 . . . . 25.0 110.685 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.417 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.8 m-85 -67.63 -39.28 84.66 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.228 176.221 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -59.15 -39.82 83.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.067 0.46 . . . . 25.0 110.71 178.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -66.58 -28.56 68.61 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tt -64.74 -47.4 78.37 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 82' ' ' TYR . 2.6 mp -71.78 -32.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 -179.204 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.82 -47.37 80.45 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.28 -24.76 54.46 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.871 -1.132 . . . . 25.0 110.918 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.84 -43.6 95.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.181 -0.324 . . . . 25.0 111.712 174.159 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.49 -42.84 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.79 -31.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.442 0.639 . . . . 25.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -110.98 23.55 14.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.772 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -59.38 -28.16 66.63 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -175.317 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -74.01 -16.7 61.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -171.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -113.43 8.35 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.51 0.671 . . . . 25.0 109.684 175.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -129.91 78.04 75.68 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.347 178.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.14 -23.39 45.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 N-CA-C 115.81 1.427 . . . . 25.0 115.81 -173.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -67.39 -35.12 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.654 -0.654 . . . . 25.0 109.583 178.379 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 120.421 -0.511 . . . . 25.0 110.46 177.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.51 -39.05 92.29 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.854 -0.529 . . . . 25.0 111.505 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.78 68.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 177.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.26 -34.89 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.118 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.62 -52.7 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.021 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.09 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.192 -178.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.78 -37.99 89.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.202 -0.599 . . . . 25.0 111.633 178.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -68.47 -39.72 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.777 -0.769 . . . . 25.0 108.943 -178.743 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.64 -41.34 90.27 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.28 -0.168 . . . . 25.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.88 -37.81 70.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.06 -35.55 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 178.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.39 -22.8 67.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp . . . . . 0 N--CA 1.474 0.742 0 CA-C-N 118.085 0.402 . . . . 25.0 111.088 179.972 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.179 0 N-CA-C 111.177 -0.769 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.96 -39.18 79.65 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.521 -0.399 . . . . 25.0 109.998 177.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -33.6 75.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 25.0 109.987 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.7 -40.84 61.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.211 -0.306 . . . . 25.0 110.762 178.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -59.98 -29.19 68.28 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.662 0.616 . . . . 25.0 112.662 172.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -84.35 -19.09 34.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.127 -0.358 . . . . 25.0 111.876 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -83.2 90.89 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.893 -0.504 . . . . 25.0 110.962 -178.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -40.63 29.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.971 1.471 . . . . 25.0 114.971 -175.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -62.36 -36.99 83.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -78.88 -37.94 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.43 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.03 -37.91 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.532 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -59.74 -44.17 93.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 122.059 -0.401 . . . . 25.0 111.46 178.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.51 76.53 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.71 -23.47 66.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -179.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.19 -23.3 66.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 176.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -83.74 -54.3 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 173.108 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.19 87.53 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.968 1.469 . . . . 25.0 114.968 -174.123 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -37.41 83.03 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 178.722 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.43 -36.15 58.13 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -67.3 -25.51 66.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.553 0.615 . . . . 25.0 112.135 -176.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.33 59.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.453 -0.499 . . . . 25.0 109.696 175.001 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.07 14.83 82.21 Favored Glycine 0 C--O 1.231 -0.08 0 N-CA-C 111.294 -0.722 . . . . 25.0 111.294 -178.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -85.07 121.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.027 0.918 . . . . 25.0 109.122 -177.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -86.2 84.74 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.51 -177.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.28 159.11 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.8 161.25 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.95 -38.12 81.54 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.902 -0.499 . . . . 25.0 110.142 174.371 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.58 78.3 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.046 0.45 . . . . 25.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -72.66 -38.0 67.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.339 -175.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -54.18 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -175.473 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.93 -21.56 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -53.69 -38.08 63.86 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.232 0.539 . . . . 25.0 110.501 173.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.44 -23.9 39.95 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.654 0.612 . . . . 25.0 112.654 -178.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.9 -34.47 77.85 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 173.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -37.17 82.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.312 -179.374 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.19 -38.68 92.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.889 -0.596 . . . . 25.0 112.557 -179.027 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -26.52 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.802 -0.562 . . . . 25.0 111.295 -178.725 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -62.76 -36.08 81.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 -176.139 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.85 -52.82 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.765 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -26.77 65.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.707 0.765 . . . . 25.0 112.883 -176.462 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.5 m -129.35 78.0 76.55 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.894 178.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.36 -18.62 29.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-O 121.581 0.575 . . . . 25.0 112.777 -178.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -19.33 59.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.704 176.514 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.54 -53.58 28.7 Favored Pre-proline 0 CA--C 1.544 0.73 0 O-C-N 121.676 -0.64 . . . . 25.0 111.522 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.42 -24.28 22.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.941 -3.572 . . . . 25.0 113.693 175.326 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.24 -43.39 95.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 25.0 111.432 -178.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -80.89 -19.56 44.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 25.0 110.089 178.795 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.79 31.92 73.05 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 121.394 -0.431 . . . . 25.0 113.807 174.811 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m -125.84 128.92 48.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.546 0.673 . . . . 25.0 109.563 -175.648 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -122.75 104.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.563 1.173 . . . . 25.0 110.519 -173.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -146.59 161.4 40.59 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 176.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -60.35 -39.09 79.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 119.294 -0.384 . . . . 25.0 111.515 -175.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -60.69 -29.07 69.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.543 0.61 . . . . 25.0 112.098 -179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -83.03 -36.96 24.55 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 122.409 -0.182 . . . . 25.0 110.593 175.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -64.67 -29.03 70.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -59.73 -47.21 86.55 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.767 0.794 . . . . 25.0 109.28 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.84 -31.0 64.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 113.842 -1.526 . . . . 25.0 113.313 177.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.71 -37.24 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -37.17 61.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.539 178.338 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -64.41 -34.8 79.01 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 175.864 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -45.27 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.647 0.261 . . . . 25.0 110.831 177.025 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.38 -36.71 84.79 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.746 177.774 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -66.32 -41.29 89.88 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.006 -177.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -72.51 -37.22 68.42 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.553 0.692 . . . . 25.0 110.82 -179.222 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.03 -38.17 90.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 175.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.0 -36.12 77.46 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.812 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.39 -35.4 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.716 -0.615 . . . . 25.0 109.675 178.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 m -76.63 -42.87 40.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.854 0.686 . . . . 25.0 112.854 -176.687 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -123.42 1.78 9.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -172.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.07 -171.56 52.35 Favored Glycine 0 C--O 1.245 0.823 0 N-CA-C 115.318 0.887 . . . . 25.0 115.318 177.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.26 -8.07 22.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.655 1.57 . . . . 25.0 113.059 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -69.19 -17.47 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.997 179.358 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -116.36 -43.75 2.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -178.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.51 131.01 22.52 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.106 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.9 151.67 21.59 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 115.184 -2.744 . . . . 25.0 111.509 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.55 -20.63 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 O-C-N 121.781 -0.574 . . . . 25.0 110.918 177.599 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -74.01 -18.86 60.8 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.592 -0.692 . . . . 25.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.66 84.41 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 119.914 -0.715 . . . . 25.0 109.168 178.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.09 -31.35 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 25.0 110.856 178.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -70.99 -45.39 64.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.912 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -59.42 -37.5 78.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.478 -0.328 . . . . 25.0 111.572 179.522 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -64.16 -32.18 73.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.43 -38.81 91.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.102 0.477 . . . . 25.0 111.213 178.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.46 -32.08 21.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 177.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -59.21 -46.4 88.54 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.775 -0.578 . . . . 25.0 109.946 179.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -70.41 -29.53 66.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.296 0.498 . . . . 25.0 110.639 -179.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -54.78 42.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 25.0 110.21 175.193 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.08 -36.5 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.367 -175.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.52 -33.22 67.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 25.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -118.77 31.42 6.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 179.156 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -66.52 -23.19 66.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.288 0.566 . . . . 25.0 109.914 176.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 5.6 pt-20 -60.78 -28.28 68.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -179.37 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.87 11.43 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.086 0.47 . . . . 25.0 111.255 -176.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -130.79 100.02 17.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.607 -0.27 . . . . 25.0 111.493 -177.145 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.67 -27.23 27.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -176.554 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -64.58 -38.41 90.93 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -72.66 -50.85 31.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.97 178.636 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -62.32 -32.69 73.48 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.256 -0.278 . . . . 25.0 111.022 -173.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.62 80.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 122.006 -0.434 . . . . 25.0 110.567 174.517 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -37.89 67.24 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.11 -52.92 54.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 -178.897 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.83 98.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.245 0.341 . . . . 25.0 110.148 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.52 -39.59 94.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 120.62 -0.432 . . . . 25.0 111.759 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.4 m -69.66 -35.74 75.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.771 -0.772 . . . . 25.0 109.297 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.06 -40.84 95.2 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 122.025 -0.422 . . . . 25.0 110.361 175.238 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.07 -46.38 77.92 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.166 0.508 . . . . 25.0 111.53 176.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.81 -40.01 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.797 -175.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -37.71 88.38 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.921 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.0 mttm . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.901 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.139 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -67.75 -36.76 81.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.425 -0.456 . . . . 25.0 111.233 179.443 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.49 -30.82 47.43 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 119.554 -0.858 . . . . 25.0 110.086 178.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.68 -41.04 98.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.894 -0.503 . . . . 25.0 111.028 178.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -13.56 18.68 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.555 1.317 . . . . 25.0 114.555 176.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -122.89 24.09 9.14 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.839 0.828 . . . . 25.0 110.377 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -115.31 85.54 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.28 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -50.59 -37.33 39.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -55.41 -38.09 68.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.052 0.842 . . . . 25.0 111.596 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -81.07 -36.06 30.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.881 -179.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.96 -39.73 80.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.546 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.76 -42.28 88.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.878 0.763 . . . . 25.0 111.522 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.24 -41.02 99.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 177.663 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 10.9 mt -71.78 -23.75 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.99 -35.86 77.93 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 178.371 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.71 -45.56 13.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.644 176.312 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -60.0 -40.0 87.71 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.074 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.34 -37.16 77.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -73.84 -26.35 60.54 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 179.534 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.5 p -63.36 -28.3 69.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.923 0.783 . . . . 25.0 113.03 -175.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -6.89 50.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.96 0.41 . . . . 25.0 110.982 179.051 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.18 3.81 57.94 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 114.266 0.466 . . . . 25.0 114.266 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -80.76 106.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -81.95 84.5 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.071 -176.399 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 176.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -73.6 147.84 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.248 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -47.89 76.24 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 111.485 0.18 . . . . 25.0 111.485 177.552 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.51 74.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 120.754 0.312 . . . . 25.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -53.66 8.69 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.189 -0.604 . . . . 25.0 111.409 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.89 -19.98 61.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 178.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -55.15 -39.13 69.13 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.862 -0.524 . . . . 25.0 110.403 172.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -79.36 -23.91 43.05 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.959 -0.463 . . . . 25.0 111.64 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -70.68 -22.24 62.49 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.71 -34.61 22.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.786 -0.571 . . . . 25.0 110.491 177.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.16 -33.88 74.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.74 -32.49 54.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 121.743 -0.598 . . . . 25.0 110.541 177.391 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -63.69 -32.6 74.14 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.891 -0.506 . . . . 25.0 112.079 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.1 -53.48 20.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.177 0.513 . . . . 25.0 110.666 178.74 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.73 -28.94 58.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -175.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.01 78.95 58.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -69.29 -15.53 38.92 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 118.262 -0.692 . . . . 25.0 112.077 177.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.352 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -65.13 -51.56 54.01 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 121.437 -0.79 . . . . 25.0 111.554 178.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.84 -20.1 30.15 Favored 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 113.083 -4.144 . . . . 25.0 113.481 176.347 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.6 -39.36 93.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.731 0.301 . . . . 25.0 111.37 179.249 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -67.98 -23.53 65.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 121.022 -0.271 . . . . 25.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.81 57.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.805 -0.236 . . . . 25.0 113.321 176.199 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -133.42 129.66 37.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 -173.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.9 mt -124.99 112.51 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.782 1.277 . . . . 25.0 109.683 -178.055 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -152.08 169.0 23.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 103.106 -2.924 . . . . 25.0 103.106 179.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -30.2 49.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 118.157 0.435 . . . . 25.0 110.957 178.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -67.59 -31.59 71.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.757 -0.589 . . . . 25.0 110.425 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -81.24 -39.84 24.7 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.207 0.527 . . . . 25.0 109.591 178.439 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 25.0 111.565 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.77 -36.9 80.1 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.147 -0.454 . . . . 25.0 111.181 176.111 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -53.78 -36.05 62.0 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 120.788 0.328 . . . . 25.0 111.434 176.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.41 -40.29 79.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.154 0.502 . . . . 25.0 110.674 -175.014 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -37.9 70.03 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.965 -1.254 . . . . 25.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.06 -41.9 98.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 177.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.88 91.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.592 179.427 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.43 -38.81 91.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 179.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -66.79 -41.58 87.39 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.874 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.65 -38.85 77.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.508 0.67 . . . . 25.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 176.767 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -67.65 -34.08 76.23 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.499 -0.318 . . . . 25.0 110.579 175.73 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.53 -32.59 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 177.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -81.12 -43.59 19.19 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -176.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -123.26 5.73 9.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.457 1.651 . . . . 25.0 115.457 -174.222 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.27 -168.88 47.57 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 116.043 1.177 . . . . 25.0 116.043 174.752 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -61.67 -16.37 48.02 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.798 2.998 . . . . 25.0 115.301 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.71 -35.99 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -175.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -91.47 -43.41 9.72 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.487 178.458 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.62 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 105.879 -1.897 . . . . 25.0 105.879 174.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.43 155.82 14.26 Favored 'Trans proline' 0 CA--C 1.517 -0.339 0 C-N-CA 115.827 -2.316 . . . . 25.0 111.905 177.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.24 -21.72 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.77 -0.581 . . . . 25.0 110.914 176.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -73.5 -19.94 60.8 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.509 -0.745 . . . . 25.0 111.335 177.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.34 83.61 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 179.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -70.09 -34.08 72.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.217 0.532 . . . . 25.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -69.26 -44.09 72.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.87 -0.789 . . . . 25.0 108.87 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -64.56 -44.0 92.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.792 -0.64 . . . . 25.0 109.398 176.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -58.03 -40.1 80.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.415 -0.357 . . . . 25.0 111.713 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.43 -30.69 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.463 -179.393 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.07 -45.09 82.53 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.94 -31.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.513 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -58.61 -45.32 89.43 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 119.0 -0.524 . . . . 25.0 109.996 179.408 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -27.95 62.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 119.109 0.868 . . . . 25.0 111.125 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -41.29 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.139 -0.224 . . . . 25.0 110.748 176.798 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.85 -39.23 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.808 -0.357 . . . . 25.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.24 -33.62 67.75 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.837 0.351 . . . . 25.0 110.868 -178.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -120.33 33.57 5.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.226 0.536 . . . . 25.0 111.994 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -66.53 -19.13 65.71 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.181 0.515 . . . . 25.0 110.366 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.62 -31.39 72.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.26 7.47 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.647 0.737 . . . . 25.0 109.869 179.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -126.97 79.77 72.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.496 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.01 -18.77 46.21 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 117.489 -1.207 . . . . 25.0 113.957 -176.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.62 -44.91 89.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 179.475 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.91 -29.02 9.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 C-N-CA 120.087 -0.645 . . . . 25.0 110.504 -179.796 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -60.02 -40.76 90.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.453 0.57 . . . . 25.0 110.241 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.019 -0.426 . . . . 25.0 110.59 176.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.65 -34.35 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.227 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.65 -49.16 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 177.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.41 98.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.388 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.69 -36.2 83.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.004 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.6 m -66.95 -38.56 86.35 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.3 -35.3 79.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 119.083 -0.484 . . . . 25.0 111.439 176.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.14 -47.81 81.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.579 0.704 . . . . 25.0 110.221 176.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.2 mt -64.1 -32.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.502 -0.772 . . . . 25.0 109.909 -176.077 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.38 -27.46 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp . . . . . 0 N--CA 1.473 0.679 0 O-C-N 121.826 -0.546 . . . . 25.0 111.588 176.456 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.182 0 N-CA-C 114.093 0.397 . . . . 25.0 114.093 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.66 -42.6 77.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.16 -0.612 . . . . 25.0 110.098 -174.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -71.35 -30.49 66.23 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.302 -178.738 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.52 -38.93 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.984 -0.448 . . . . 25.0 110.401 176.132 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.52 -8.11 31.22 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.402 0.89 . . . . 25.0 113.402 175.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -108.8 -13.3 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 25.0 111.282 179.405 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -81.06 94.17 6.54 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 122.107 -0.37 . . . . 25.0 110.179 -178.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -43.66 -44.92 6.68 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.855 1.798 . . . . 25.0 115.855 -173.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.8 -34.18 74.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.521 0.676 . . . . 25.0 112.105 -178.171 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -83.75 -39.83 19.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.256 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.3 -41.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.729 177.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.61 -43.66 93.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.994 0.816 . . . . 25.0 111.572 178.771 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.45 -41.54 96.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 178.216 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.48 -23.62 65.51 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.05 -33.45 75.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.87 -45.2 13.5 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.46 -0.336 . . . . 25.0 110.297 177.349 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.09 96.44 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 -176.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.79 88.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.647 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.34 -43.62 85.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -68.63 -18.67 64.34 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -177.614 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -21.56 61.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.094 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.05 22.54 78.77 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.023 -0.608 . . . . 25.0 113.604 176.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.26 143.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 25.0 110.085 -176.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -83.19 84.44 7.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 25.0 110.166 -178.1 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -131.5 132.77 62.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -79.0 158.74 27.88 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.03 -46.28 78.88 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 121.937 -0.477 . . . . 25.0 110.484 173.88 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.67 76.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -67.7 -43.46 80.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -176.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.58 -55.3 10.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.316 0.579 . . . . 25.0 111.78 -177.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.0 -19.83 65.47 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.301 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -60.17 -32.0 70.64 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 119.961 -0.696 . . . . 25.0 110.623 173.278 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.9 -23.81 36.06 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.571 -0.705 . . . . 25.0 111.776 178.315 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.36 -25.65 65.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 169.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.65 -22.78 37.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.153 0.501 . . . . 25.0 111.258 176.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -71.94 -41.28 68.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.809 -0.557 . . . . 25.0 109.732 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.17 -26.43 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 122.091 -0.381 . . . . 25.0 110.082 177.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.64 -39.25 76.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.747 0.308 . . . . 25.0 110.35 176.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.5 -55.24 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.804 -0.635 . . . . 25.0 112.684 -178.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -24.54 62.79 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -174.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.85 76.76 70.78 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.817 176.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.9 -12.76 28.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.72 0.633 . . . . 25.0 112.327 -177.798 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -17.9 38.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.82 176.523 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.81 -49.21 87.02 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -177.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.09 -20.46 37.94 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 113.061 -4.16 . . . . 25.0 113.954 177.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.75 -15.64 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.889 0.329 . . . . 25.0 111.889 178.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -77.99 -30.62 50.26 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.342 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.22 20.52 58.48 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.749 -175.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -131.22 127.33 37.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -173.165 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -128.81 105.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.799 1.285 . . . . 25.0 109.757 -177.667 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -146.77 166.91 25.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 104.646 -2.353 . . . . 25.0 104.646 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.46 -30.2 47.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -65.73 -27.4 68.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.253 -0.279 . . . . 25.0 111.622 179.58 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.59 -49.0 8.37 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.631 0.729 . . . . 25.0 109.126 175.072 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -59.14 -35.83 74.16 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 114.854 1.428 . . . . 25.0 114.854 -175.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -58.41 -36.71 73.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.953 0.406 . . . . 25.0 111.942 -176.621 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -63.87 -21.02 66.26 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.45 1.278 . . . . 25.0 114.45 177.042 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 -37.72 80.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -35.13 64.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.871 -0.892 . . . . 25.0 110.871 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.13 -41.51 98.33 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 176.509 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -43.47 96.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.958 179.098 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -63.89 -38.18 90.15 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -68.05 -39.6 82.99 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 121.069 -0.252 . . . . 25.0 110.636 -177.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.27 -45.01 93.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.633 0.73 . . . . 25.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.25 -35.2 79.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -65.61 -37.29 86.18 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.652 176.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.03 -33.55 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.883 -0.511 . . . . 25.0 111.659 -177.123 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -69.64 -42.77 73.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -175.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.24 1.66 6.41 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.598 1.703 . . . . 25.0 115.598 -174.249 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.94 -162.86 48.97 Favored Glycine 0 C--O 1.243 0.709 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.371 -178.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.64 -7.31 21.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 121.179 1.253 . . . . 25.0 114.386 -178.018 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -74.9 -5.82 45.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -115.46 -46.5 2.87 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 179.317 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.16 131.04 24.47 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 176.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -76.63 153.51 34.29 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 114.612 -3.125 . . . . 25.0 111.382 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.83 -20.95 28.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 121.841 -0.537 . . . . 25.0 110.625 177.07 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.2 -17.95 60.83 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.661 -0.65 . . . . 25.0 111.593 177.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.2 82.96 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.571 -0.706 . . . . 25.0 109.478 178.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -72.67 -28.63 62.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.304 0.573 . . . . 25.0 110.738 178.152 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -73.97 -44.45 54.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 179.591 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.57 -43.12 99.59 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.221 175.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -57.9 -37.99 75.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.735 0.302 . . . . 25.0 111.211 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -69.42 -30.51 68.48 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.3 -44.16 88.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.172 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.97 -31.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.183 0.516 . . . . 25.0 109.795 179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -52.6 -51.14 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.22 -0.3 . . . . 25.0 111.313 179.425 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.2 -29.38 66.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.226 -0.589 . . . . 25.0 111.578 -178.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.41 -40.07 89.35 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.224 -0.297 . . . . 25.0 111.2 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -77.24 -42.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 178.159 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.22 -36.99 78.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 25.0 110.717 -176.463 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -113.87 38.64 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.08 -25.22 65.23 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.226 0.536 . . . . 25.0 109.784 176.157 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.95 -30.09 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -179.18 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.21 7.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 121.516 0.674 . . . . 25.0 110.063 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -125.46 78.07 68.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.677 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -19.07 42.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.465 -1.224 . . . . 25.0 114.406 -175.819 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 178.163 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.02 -27.12 14.77 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 C-N-CA 119.98 -0.688 . . . . 25.0 110.589 -177.628 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -41.56 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.809 0.731 . . . . 25.0 110.669 178.019 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.65 -27.92 68.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.086 0.47 . . . . 25.0 110.419 176.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.42 -30.47 53.5 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.77 -48.21 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 176.376 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.85 98.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.08 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.62 -40.79 96.12 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.479 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -66.86 -37.76 85.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.0 -39.9 93.8 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.001 -0.437 . . . . 25.0 110.664 177.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.27 -41.2 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.235 -0.29 . . . . 25.0 111.546 178.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.06 -37.76 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.59 -36.28 80.21 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.13 -0.356 . . . . 25.0 111.276 176.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 C--N 1.324 -0.541 0 O-C-N 122.109 -0.37 . . . . 25.0 111.768 177.564 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.143 0 N-CA-C 112.712 -0.155 . . . . 25.0 112.712 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.15 -36.65 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.927 0.363 . . . . 25.0 111.451 178.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.24 -43.23 61.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 176.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.7 -41.87 91.75 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -59.77 -24.4 64.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.741 1.756 . . . . 25.0 115.741 172.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -98.2 -14.08 20.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 25.0 110.333 -178.708 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -80.51 75.95 7.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.66 -33.61 10.3 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 -173.246 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -62.07 -33.21 73.99 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.224 -0.923 . . . . 25.0 112.303 177.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -83.64 -38.06 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 177.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.29 -39.62 68.85 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 CA-C-O 118.892 -0.575 . . . . 25.0 110.105 176.33 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -55.69 -45.01 77.89 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.343 0.974 . . . . 25.0 112.039 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -69.07 -34.47 75.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.822 -0.549 . . . . 25.0 110.226 178.707 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.244 -0.583 . . . . 25.0 112.144 175.041 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.59 -38.68 91.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.89 -48.37 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 176.169 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.03 92.41 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.68 -39.06 90.92 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 178.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.07 -45.88 83.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 -179.151 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -70.97 -18.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.569 -0.453 . . . . 25.0 111.057 -179.099 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -26.31 57.48 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.233 -0.292 . . . . 25.0 110.513 176.479 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 11.38 74.86 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 111.072 -0.811 . . . . 25.0 111.072 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.19 125.66 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.71 0.767 . . . . 25.0 110.345 -172.509 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.7 84.64 3.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -147.59 139.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -179.046 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.92 138.45 58.38 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 178.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -51.37 25.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -179.568 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.79 -29.04 69.88 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 120.924 0.392 . . . . 25.0 111.259 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.56 -19.34 45.88 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.513 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.61 -52.19 8.3 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.552 -1.277 . . . . 25.0 107.552 173.097 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' ' 35' ' ' PHE . 4.3 mm? -52.8 -33.32 48.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.976 176.133 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -49.78 -38.04 32.52 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -73.16 -24.26 60.55 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.657 -0.652 . . . . 25.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' A' ' 32' ' ' LEU . 29.7 m-85 -73.37 -24.21 60.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.228 174.068 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.26 -29.58 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.462 0.649 . . . . 25.0 109.331 177.31 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.88 -34.09 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.288 178.342 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.11 -30.74 42.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.161 -0.616 . . . . 25.0 109.817 177.299 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -37.68 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 178.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.98 -47.91 34.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.154 -179.408 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -72.71 -38.23 67.56 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -176.397 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 82.74 45.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 122.134 -0.353 . . . . 25.0 110.225 -178.157 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.6 -16.75 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 CA-C-O 121.669 0.612 . . . . 25.0 112.037 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -11.04 59.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.018 176.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -71.17 -52.72 8.93 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.394 -0.816 . . . . 25.0 111.857 177.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.45 -20.06 48.45 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 113.61 -3.793 . . . . 25.0 113.453 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -63.16 -25.11 68.19 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.597 0.359 . . . . 25.0 111.951 177.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.03 -16.65 62.62 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.859 -0.526 . . . . 25.0 111.273 178.217 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.74 14.33 43.36 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 116.176 1.23 . . . . 25.0 116.176 174.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -137.88 140.06 40.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -173.303 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mm -114.18 113.65 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 122.895 1.331 . . . . 25.0 109.517 178.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -152.11 158.47 43.01 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.109 -1.405 . . . . 25.0 107.654 176.193 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.65 -29.95 48.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.231 -176.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -66.26 -33.16 75.11 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.065 -0.397 . . . . 25.0 110.063 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -81.38 -33.87 32.03 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.238 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -63.78 -26.6 68.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.708 177.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -55.06 -46.62 75.42 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 176.127 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -57.61 -29.41 64.5 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -177.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.23 -40.15 80.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.594 0.711 . . . . 25.0 109.207 -179.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -35.94 59.12 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.499 -1.04 . . . . 25.0 110.499 178.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.1 -37.91 89.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 177.218 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -44.33 96.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 25.0 111.239 177.532 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.16 -38.0 89.18 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.271 -0.572 . . . . 25.0 109.524 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -64.29 -43.68 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.65 0.262 . . . . 25.0 110.739 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -62.86 -48.32 79.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.745 0.783 . . . . 25.0 109.628 -177.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -33.32 75.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.854 179.444 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -67.82 -36.91 81.21 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.907 -0.496 . . . . 25.0 110.906 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.784 -0.572 . . . . 25.0 109.868 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.5 m -69.67 -43.07 73.3 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.34 6.51 7.02 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.112 1.893 . . . . 25.0 116.112 -170.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.08 -177.69 50.04 Favored Glycine 0 C--O 1.243 0.715 0 N-CA-C 116.775 1.47 . . . . 25.0 116.775 174.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.66 -9.39 23.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.329 2.019 . . . . 25.0 114.604 -178.483 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.61 -20.51 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.301 0.572 . . . . 25.0 110.437 178.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -95.96 -49.43 5.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.573 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.82 130.95 24.19 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.99 153.97 22.45 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 115.317 -2.655 . . . . 25.0 111.782 178.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.47 -20.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.769 -0.582 . . . . 25.0 110.659 176.22 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.91 -19.92 61.17 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.618 -0.676 . . . . 25.0 111.197 177.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.75 83.81 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.499 0.59 . . . . 25.0 109.659 179.311 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -71.0 -30.37 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.324 0.583 . . . . 25.0 111.073 178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -74.82 -42.37 58.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 -179.746 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.41 -44.0 95.89 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 175.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.66 -36.99 75.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.168 0.509 . . . . 25.0 111.306 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -70.66 -36.03 73.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 122.892 0.477 . . . . 25.0 110.812 -177.519 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.77 -36.58 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.398 -179.228 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.97 -28.4 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.678 -0.237 . . . . 25.0 110.565 178.039 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -57.15 -41.92 80.03 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.578 -0.701 . . . . 25.0 110.711 -179.532 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.93 -24.7 59.71 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 110.971 -177.535 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.7 -40.29 63.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.324 -0.235 . . . . 25.0 110.966 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.5 mt -73.87 -39.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.64 -35.55 74.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.748 0.308 . . . . 25.0 110.3 -177.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -113.22 32.57 5.65 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 178.377 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -63.78 -23.71 67.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.45 0.643 . . . . 25.0 110.048 175.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -61.91 -24.06 66.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.91 11.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.094 0.473 . . . . 25.0 110.735 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -129.62 85.55 58.21 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 121.047 0.451 . . . . 25.0 110.972 -177.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.26 -24.35 43.96 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 N-CA-C 116.892 1.843 . . . . 25.0 116.892 -171.36 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.52 -35.08 79.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.759 0.709 . . . . 25.0 109.405 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.83 -30.61 6.91 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.747 178.938 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -62.82 -35.91 81.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 25.0 111.377 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.33 70.95 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.042 -0.411 . . . . 25.0 110.698 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.63 -34.56 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.887 -0.782 . . . . 25.0 108.887 179.275 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.95 -49.8 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 176.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.83 94.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 25.0 110.504 -178.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.3 -36.57 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 178.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.5 m -61.76 -44.14 97.48 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 178.553 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -58.18 -38.76 77.32 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 176.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.85 -45.38 86.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.477 0.656 . . . . 25.0 110.564 178.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.45 -32.88 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.134 -177.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -31.66 71.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.344 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp . . . . . 0 N--CA 1.469 0.525 0 O-C-N 122.052 -0.405 . . . . 25.0 111.726 177.106 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.219 0 N-CA-C 111.289 -0.724 . . . . 25.0 111.289 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.74 -39.87 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.752 -0.263 . . . . 25.0 110.57 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -71.2 -38.32 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.251 0.548 . . . . 25.0 111.331 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.27 -41.23 96.59 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.747 -0.595 . . . . 25.0 109.68 177.608 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 -8.79 56.27 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 174.814 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -98.59 -24.03 15.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.152 0.977 . . . . 25.0 108.891 -178.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -85.24 92.34 8.39 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.599 -0.728 . . . . 25.0 109.568 179.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -53.51 -28.6 31.96 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -178.634 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -57.66 -32.6 67.47 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.779 -0.576 . . . . 25.0 111.47 175.258 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -87.88 -40.86 13.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.225 0.61 . . . . 25.0 109.891 179.056 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 16' ' ' LYS . 45.6 t -59.02 -36.69 63.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-N 115.679 -0.691 . . . . 25.0 109.781 -179.421 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.82 -50.0 69.65 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.774 0.716 . . . . 25.0 112.722 178.312 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -64.37 -40.37 95.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.161 0.981 . . . . 25.0 109.166 178.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -69.56 -23.58 63.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.027 -176.793 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' HG12 ' A' ' 12' ' ' VAL . 68.2 mttt -61.19 -40.27 93.3 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.247 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.31 -41.55 21.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.909 177.253 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -62.64 -38.83 91.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.221 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.51 -39.6 91.55 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -29.67 26.67 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -175.548 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t -69.71 -18.06 63.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.632 0.651 . . . . 25.0 110.477 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.89 -14.68 59.86 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.929 -0.482 . . . . 25.0 110.389 174.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.11 -20.6 9.68 Favored Glycine 0 CA--C 1.517 0.2 0 CA-C-O 121.333 0.407 . . . . 25.0 113.567 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 t -76.02 124.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -177.142 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -83.77 84.34 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.952 -0.467 . . . . 25.0 110.395 -176.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.3 153.03 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.176 0.513 . . . . 25.0 109.879 178.367 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.06 141.48 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 175.091 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -51.58 61.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.28 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.48 81.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -177.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.41 -34.15 58.82 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.913 -0.315 . . . . 25.0 110.346 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.85 -53.7 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.158 0.504 . . . . 25.0 110.254 -179.386 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.97 -20.91 66.36 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.537 0.569 . . . . 25.0 112.537 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -63.56 -28.53 70.0 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.395 -0.922 . . . . 25.0 110.169 175.508 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.28 -23.8 43.35 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.217 -0.927 . . . . 25.0 112.007 175.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.95 -36.9 78.47 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 106.171 -1.789 . . . . 25.0 106.171 172.075 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.71 -32.55 73.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.774 -1.103 . . . . 25.0 110.41 179.233 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.02 -37.89 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.113 -0.494 . . . . 25.0 111.558 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -66.11 -29.12 45.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 119.787 -0.765 . . . . 25.0 109.998 179.58 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.33 -37.15 86.48 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.114 -177.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.1 -52.75 25.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.679 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -74.01 -29.26 61.85 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.27 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -124.01 75.14 58.19 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.26 -177.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.22 -17.07 40.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.043 -0.838 . . . . 25.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.48 -13.18 59.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.626 176.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -69.0 -54.36 12.35 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 121.311 -0.868 . . . . 25.0 111.573 177.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.18 -17.16 35.83 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 113.665 -3.757 . . . . 25.0 113.306 177.141 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.05 -33.61 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.386 0.274 . . . . 25.0 111.62 178.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.86 -21.99 61.59 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.989 -0.444 . . . . 25.0 110.868 177.496 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.4 20.3 36.67 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.149 0.82 . . . . 25.0 115.149 177.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -130.73 132.77 45.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.673 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mm -105.63 112.69 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 122.921 1.343 . . . . 25.0 109.967 179.568 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -149.74 161.04 43.0 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.872 -1.513 . . . . 25.0 107.197 174.336 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -67.08 -28.92 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.418 -0.355 . . . . 25.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 90.5 mttt -67.17 -34.94 78.6 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.903 -0.498 . . . . 25.0 109.889 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -70.38 -38.13 74.67 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -66.88 -27.53 67.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 27.5 mmt180 -57.91 -47.36 83.05 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.65 -30.57 63.48 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -178.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.22 -41.07 88.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.703 . . . . 25.0 109.911 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -33.93 43.85 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.351 -0.928 . . . . 25.0 110.832 -179.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.93 -38.78 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.37 -44.51 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.658 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.18 -37.58 87.8 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 179.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.08 -41.55 86.17 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.304 -0.158 . . . . 25.0 111.01 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.53 -47.07 83.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.699 0.762 . . . . 25.0 109.095 -178.709 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -37.35 87.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.108 178.712 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.59 -37.03 84.05 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 122.185 -0.322 . . . . 25.0 111.517 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -34.44 63.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.472 -0.767 . . . . 25.0 109.755 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.7 m -67.84 -43.03 80.49 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.27 2.27 6.38 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 117.284 2.327 . . . . 25.0 117.284 -171.884 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.64 178.35 52.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.194 1.638 . . . . 25.0 117.194 174.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.38 -15.18 31.29 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.646 2.23 . . . . 25.0 113.862 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.64 -14.46 61.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.589 0.709 . . . . 25.0 109.738 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.03 -44.58 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.088 -178.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.72 130.88 23.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 178.204 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.19 149.49 19.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 115.219 -2.72 . . . . 25.0 112.722 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.58 -19.75 26.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 121.826 -0.546 . . . . 25.0 110.862 176.327 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.68 -19.03 61.49 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.605 -0.685 . . . . 25.0 111.221 177.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -37.64 88.09 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -71.6 -33.06 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.293 0.568 . . . . 25.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -69.05 -45.89 69.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.72 -41.62 98.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 25.0 109.885 176.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.11 -40.17 80.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.077 179.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.06 -29.32 70.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -179.399 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.01 -41.26 97.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.53 0.681 . . . . 25.0 109.85 179.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.69 -29.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 179.277 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.78 -52.61 64.36 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -67.35 -22.42 65.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -178.331 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.0 tp -79.77 -42.52 24.32 Favored 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 122.879 0.472 . . . . 25.0 111.445 -177.053 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.02 -34.91 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 176.287 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.61 -28.86 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.998 0.519 . . . . 25.0 110.968 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -122.84 32.67 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.11 0.481 . . . . 25.0 112.283 -179.084 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -63.15 -24.87 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.693 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.3 -26.51 67.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -178.309 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -109.2 10.61 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.663 0.744 . . . . 25.0 109.835 177.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.1 81.51 62.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.691 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -65.75 -17.71 56.88 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.325 -1.316 . . . . 25.0 113.722 -178.708 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -63.45 -44.3 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -84.84 -25.25 6.99 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.986 179.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -39.39 80.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.979 0.809 . . . . 25.0 110.716 179.838 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.24 79.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.329 175.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.79 59.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 122.314 -0.241 . . . . 25.0 110.701 -178.439 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.02 -48.77 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 107.589 -1.263 . . . . 25.0 107.589 177.257 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.18 88.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.953 179.483 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.8 -38.52 90.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.039 -0.413 . . . . 25.0 111.393 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.1 m -63.64 -44.62 93.33 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.595 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.08 -46.67 85.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.697 -0.401 . . . . 25.0 111.441 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -64.07 -37.46 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 25.0 111.679 -178.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -70.32 -38.66 75.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.569 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.344 -0.222 . . . . 25.0 110.881 177.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.5 mttt . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.224 0.535 . . . . 25.0 110.44 177.847 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 0 CA-C-O 120.237 -0.202 . . . . 25.0 112.828 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -64.62 -36.89 85.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.374 0.587 . . . . 25.0 110.826 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.93 -28.12 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.295 0.569 . . . . 25.0 110.425 178.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.02 -38.87 92.3 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.881 -0.512 . . . . 25.0 110.575 175.032 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -8.48 45.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 172.82 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -94.76 -17.4 22.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.093 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.88 101.28 13.23 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 122.091 -0.381 . . . . 25.0 110.032 -179.51 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.86 -36.99 63.21 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 -173.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -63.95 -37.33 87.02 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.939 0.791 . . . . 25.0 111.279 178.277 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -71.53 -43.6 66.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.751 0.786 . . . . 25.0 108.965 179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.69 -40.93 78.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 CA-C-N 114.847 -1.069 . . . . 25.0 109.748 176.729 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.23 -48.18 79.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.091 0.859 . . . . 25.0 112.229 179.178 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.65 -40.19 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 25.0 109.948 178.143 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -71.45 -24.12 61.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -60.52 -41.83 95.21 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 175.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -74.84 -41.57 59.62 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.825 178.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.77 79.03 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -176.588 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.51 -37.73 88.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 177.135 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -63.64 -45.79 88.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.292 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 p -68.77 -20.8 64.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.246 0.476 . . . . 25.0 111.77 -178.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -74.4 -20.73 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.364 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.45 79.32 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 121.125 -0.559 . . . . 25.0 113.55 175.106 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -120.91 138.82 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.709 0.766 . . . . 25.0 110.441 -175.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -85.35 84.29 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.213 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.5 t -114.85 134.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 177.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -64.36 135.69 56.41 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.093 -1.817 . . . . 25.0 106.093 177.881 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -47.26 68.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.27 70.55 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.86 179.068 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.92 -31.56 51.17 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.22 -52.55 32.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 176.229 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -20.05 66.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.75 -40.04 72.0 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 173.44 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -77.02 -24.28 52.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.8 -21.8 61.66 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 172.203 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.0 -38.46 25.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 176.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.0 -31.97 73.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.871 -0.732 . . . . 25.0 109.478 177.289 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -64.51 -36.89 85.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.56 -0.712 . . . . 25.0 111.297 179.541 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.97 -35.63 81.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.152 0.501 . . . . 25.0 111.768 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -91.51 -25.68 19.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.758 0.789 . . . . 25.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.9 m -131.5 82.24 62.22 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 123.381 0.672 . . . . 25.0 110.747 -178.173 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.6 -21.42 34.26 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 117.789 -1.007 . . . . 25.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -18.44 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.494 -0.775 . . . . 25.0 113.016 178.169 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.79 -54.39 47.78 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 121.681 -0.637 . . . . 25.0 111.384 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.41 -15.96 22.05 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 113.953 -3.564 . . . . 25.0 114.29 176.44 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.08 -47.98 72.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.606 -0.516 . . . . 25.0 109.606 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.53 -37.03 60.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 175.124 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 69.65 10.43 63.86 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-N 115.234 -0.894 . . . . 25.0 114.854 176.446 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.441 ' HB ' HH11 ' A' ' 55' ' ' ARG . 22.8 m -82.73 116.25 22.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.749 0.775 . . . . 25.0 109.04 179.365 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -112.65 99.17 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 123.357 1.551 . . . . 25.0 111.116 -176.121 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.49 166.41 29.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 104.261 -2.496 . . . . 25.0 104.261 175.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tp -61.38 -28.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.538 0.209 . . . . 25.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -59.14 -38.92 80.84 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.787 -0.571 . . . . 25.0 111.027 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.441 HH11 ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -85.36 -38.22 19.0 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 120.466 0.174 . . . . 25.0 111.215 177.185 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -63.06 -30.55 71.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 -178.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -60.97 -39.88 91.26 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.942 -0.474 . . . . 25.0 111.338 174.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.98 67.87 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 177.197 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.88 -38.51 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 176.209 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.824 -0.91 . . . . 25.0 110.824 178.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -59.88 -42.73 94.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 175.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.73 96.53 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.172 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -63.83 -37.96 89.34 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.019 -0.672 . . . . 25.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.48 -50.89 69.62 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.492 -0.558 . . . . 25.0 109.492 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.9 -37.66 79.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.23 -0.441 . . . . 25.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.05 -34.84 75.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 178.136 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.94 -38.93 92.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.18 -29.76 68.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.843 0.354 . . . . 25.0 111.115 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 m -83.06 -41.21 18.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.3 0.852 . . . . 25.0 113.3 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -117.51 -0.88 11.8 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.739 1.755 . . . . 25.0 115.739 -171.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.41 175.82 43.72 Favored Glycine 0 C--O 1.249 1.085 0 N-CA-C 116.362 1.305 . . . . 25.0 116.362 176.342 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.01 -15.82 44.02 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.731 2.287 . . . . 25.0 115.401 -178.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.51 -26.94 61.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.068 -0.395 . . . . 25.0 111.163 178.087 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -95.38 -48.42 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.426 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.6 t -108.0 130.93 22.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.74 156.0 10.3 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 115.962 -2.225 . . . . 25.0 112.117 177.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.04 -21.51 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.688 -0.632 . . . . 25.0 110.841 176.217 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 t -74.35 -17.6 60.81 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.696 -0.627 . . . . 25.0 111.287 177.545 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.13 79.69 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.54 -32.05 69.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.228 0.537 . . . . 25.0 110.909 178.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -45.73 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -62.42 -43.97 97.55 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.512 176.219 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -57.19 -39.45 75.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.716 0.293 . . . . 25.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.91 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.774 -178.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -45.21 95.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.12 -0.326 . . . . 25.0 110.12 178.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.72 -32.3 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -58.42 -44.19 88.98 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.537 -0.727 . . . . 25.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.19 -27.34 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.089 -0.644 . . . . 25.0 110.576 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.55 -40.4 94.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 172.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.38 -40.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 121.261 -0.176 . . . . 25.0 110.915 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.27 -35.84 72.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.324 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.01 33.58 4.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -67.28 -21.11 65.71 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 171.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -128.5 4.0 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.978 0.894 . . . . 25.0 111.271 -175.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.24 85.62 58.01 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.47 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.9 -18.16 57.02 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 116.948 -1.568 . . . . 25.0 113.773 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.06 -43.91 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.99 -29.69 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.581 -178.163 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -62.43 -39.01 91.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.86 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.055 -0.403 . . . . 25.0 110.577 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.63 56.19 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 178.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.87 -50.35 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.144 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.63 93.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.34 -36.38 80.01 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.496 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 m -63.74 -44.02 94.73 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -179.523 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -62.03 -42.03 98.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.65 0.262 . . . . 25.0 110.769 179.504 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.67 -50.16 70.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 111.255 178.9 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.61 -39.02 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.433 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.21 -41.89 97.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.593 0.633 . . . . 25.0 111.972 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.7 mmtp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 121.798 -0.564 . . . . 25.0 112.095 178.03 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.447 0 N-CA-C 115.391 0.916 . . . . 25.0 115.391 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -58.35 -42.04 86.02 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.048 0.924 . . . . 25.0 110.245 178.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.24 -34.56 63.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 25.0 109.825 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.61 -39.6 94.77 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.619 -0.676 . . . . 25.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -12.53 61.45 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 174.254 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -99.94 -17.87 17.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.096 0.95 . . . . 25.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -84.23 80.29 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.866 -176.185 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -48.21 -30.28 4.54 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.657 2.095 . . . . 25.0 116.657 -174.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.85 -40.41 72.82 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.504 0.669 . . . . 25.0 111.491 174.104 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.95 -38.93 16.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.033 -178.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG12 ' HE3' ' A' ' 16' ' ' LYS . 47.5 t -59.2 -42.91 88.37 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-O 119.279 -0.391 . . . . 25.0 110.311 179.429 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.76 -42.65 84.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.934 0.788 . . . . 25.0 112.088 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -40.82 88.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 179.207 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.08 -23.4 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE3' HG12 ' A' ' 12' ' ' VAL . 79.4 mttt -59.88 -28.02 67.19 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 177.825 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -83.93 -50.39 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.59 170.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.1 81.23 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -175.03 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -38.35 77.44 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.121 0.486 . . . . 25.0 109.725 179.527 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.53 -34.44 65.23 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.111 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -66.63 -22.01 66.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -176.725 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -77.19 -19.76 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.72 -0.612 . . . . 25.0 109.564 176.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.33 78.96 Favored Glycine 0 C--O 1.238 0.374 0 CA-C-O 121.389 0.439 . . . . 25.0 113.402 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 t -93.48 122.18 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -175.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.37 84.34 7.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.288 -174.145 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -105.45 140.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.38 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -68.29 133.42 48.75 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.008 -1.849 . . . . 25.0 106.008 175.283 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -50.88 -50.29 57.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -177.879 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.33 70.71 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.7 -178.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -81.3 -28.42 34.62 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 116.723 -0.217 . . . . 25.0 111.249 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.88 -53.99 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.219 -0.992 . . . . 25.0 108.698 175.336 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.26 -19.95 65.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 179.257 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.33 -39.95 67.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.329 0.585 . . . . 25.0 110.1 172.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -82.16 -23.79 35.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.845 -178.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.11 -22.74 64.88 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 171.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.02 -37.65 46.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.649 0.738 . . . . 25.0 109.748 178.391 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -65.93 -33.55 76.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.123 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -37.17 84.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.853 -0.529 . . . . 25.0 110.152 179.419 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.9 -49.0 77.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -77.84 -28.91 50.27 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -118.5 84.73 24.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 121.906 -0.496 . . . . 25.0 111.909 -176.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.27 -16.99 39.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-O 121.324 0.468 . . . . 25.0 113.003 -179.39 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -13.06 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 177.221 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.59 -48.74 64.4 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.477 -0.765 . . . . 25.0 112.729 -178.465 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.51 -20.29 31.48 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 113.951 -3.566 . . . . 25.0 114.031 175.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -68.04 -39.7 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.901 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.95 -41.6 95.35 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 175.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.45 31.96 71.66 Favored Glycine 0 C--O 1.219 -0.798 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.697 176.08 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -129.24 132.41 47.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.282 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.73 99.37 8.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 123.871 1.795 . . . . 25.0 107.92 177.507 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.51 157.42 43.26 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.31 -2.223 . . . . 25.0 105.819 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.76 -28.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -172.061 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 34.7 mmtp -68.21 -35.37 77.86 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.459 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -64.68 -42.33 95.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 177.222 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -67.16 -29.77 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 26.2 mmt180 -58.72 -42.02 87.73 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 177.531 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -61.94 -30.88 71.21 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.211 -178.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -68.51 -40.1 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.32 0.581 . . . . 25.0 110.109 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.06 78.22 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -179.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.62 -37.98 85.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.75 0.786 . . . . 25.0 109.511 177.399 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -43.29 96.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.043 176.751 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -64.62 -34.08 77.44 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.916 -0.49 . . . . 25.0 110.205 178.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -64.45 -44.48 90.96 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 -178.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.81 -43.92 71.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.694 0.759 . . . . 25.0 111.004 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -63.66 -30.17 71.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -69.92 -46.02 66.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 174.849 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.93 -23.25 65.95 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 m -58.12 -44.02 87.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 -22.67 3.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.943 2.201 . . . . 25.0 116.943 -177.406 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.73 -170.33 16.0 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 -170.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.46 -7.42 20.91 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 116.713 1.774 . . . . 25.0 116.713 -174.163 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.56 -25.85 59.56 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 121.631 -0.668 . . . . 25.0 110.945 176.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.44 -48.62 9.44 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.044 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -124.36 130.77 24.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.94 153.51 29.13 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 115.492 -2.538 . . . . 25.0 111.791 177.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.06 -20.9 28.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.74 -0.6 . . . . 25.0 110.844 176.555 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -72.2 -18.08 61.88 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.657 -0.652 . . . . 25.0 111.067 177.405 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.07 79.43 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 120.206 -0.598 . . . . 25.0 109.974 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.81 -30.76 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.125 0.488 . . . . 25.0 111.115 178.417 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -70.57 -44.5 67.24 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 177.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.16 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.001 176.327 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -57.79 -39.07 76.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.323 . . . . 25.0 111.041 179.196 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.16 -25.79 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.75 -40.26 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.395 0.617 . . . . 25.0 109.529 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.62 -29.33 18.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.471 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -58.18 -52.67 64.59 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.289 -0.414 . . . . 25.0 109.947 178.042 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.44 -28.97 67.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.519 -0.472 . . . . 25.0 111.33 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -49.91 75.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.294 -0.254 . . . . 25.0 111.212 175.004 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.9 mt -76.42 -38.04 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.197 -177.278 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.09 -28.15 66.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.88 29.14 7.7 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 179.081 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -64.45 -21.8 66.77 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.164 0.507 . . . . 25.0 111.0 177.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.3 -41.31 96.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.67 7.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.446 0.641 . . . . 25.0 110.893 -176.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -126.58 84.35 62.74 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 178.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -66.99 -22.79 47.59 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 117.263 -1.358 . . . . 25.0 113.787 -177.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -69.23 -25.28 64.23 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 176.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.1 t -83.64 -44.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 176.151 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.5 ttp -62.34 -28.22 69.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -176.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.6 80.76 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.65 -0.656 . . . . 25.0 110.993 174.002 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 -33.79 58.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.659 -0.496 . . . . 25.0 109.659 178.43 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.89 -51.93 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 179.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.2 92.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 25.0 111.422 -178.554 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.02 -37.32 86.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.111 -0.368 . . . . 25.0 111.963 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.59 HG22 HD13 ' A' ' 110' ' ' LEU . 19.1 m -69.17 -36.03 76.93 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.791 -0.568 . . . . 25.0 110.194 -177.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.79 -38.39 81.74 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 122.085 -0.384 . . . . 25.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.51 -49.61 76.88 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.484 1.135 . . . . 25.0 109.11 176.17 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.9 -39.85 84.44 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 CA-C-N 114.145 -1.389 . . . . 25.0 110.848 -173.205 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.59 HD13 HG22 ' A' ' 106' ' ' THR . 3.2 mp -59.74 -38.26 81.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.458 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 C--N 1.326 -0.445 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.735 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.426 0 N-CA-C 114.203 0.441 . . . . 25.0 114.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.5 -20.92 64.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.616 0.722 . . . . 25.0 109.184 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.79 -52.17 52.99 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.026 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.54 -37.71 87.5 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -13.37 4.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.607 1.336 . . . . 25.0 114.607 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -97.78 -11.44 23.36 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.956 -0.465 . . . . 25.0 112.035 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 92.83 8.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -43.8 2.52 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.899 2.185 . . . . 25.0 116.899 -174.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -34.54 78.0 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.39 -0.818 . . . . 25.0 111.634 -176.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -75.44 -36.68 60.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.599 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.03 -38.23 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.022 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.93 -43.03 99.68 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.649 -0.657 . . . . 25.0 111.085 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.04 -37.57 75.62 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.747 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.69 -24.48 65.41 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.667 -0.646 . . . . 25.0 112.487 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -64.34 -34.57 78.45 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.05 -48.86 50.36 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.97 99.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -41.38 97.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.82 -38.98 61.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -64.4 -23.13 67.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -10.05 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.103 -0.373 . . . . 25.0 111.264 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.26 7.36 67.46 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.387 -0.435 . . . . 25.0 114.177 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.1 124.77 39.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.44 84.25 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.853 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -137.36 156.64 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.55 . . . . 25.0 109.941 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -89.09 162.61 15.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.26 -39.87 80.33 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.867 -0.521 . . . . 25.0 110.377 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.67 74.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.774 0.321 . . . . 25.0 110.331 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -73.39 -38.52 65.61 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.951 -0.568 . . . . 25.0 109.651 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -73.46 -53.63 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.298 0.57 . . . . 25.0 111.352 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.68 -19.98 65.34 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.134 -0.484 . . . . 25.0 112.079 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -52.31 -36.44 53.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.541 0.686 . . . . 25.0 110.825 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.41 -23.78 32.2 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.684 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -69.51 -30.18 67.97 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -69.47 -38.62 77.79 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.43 -38.94 92.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.531 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -65.93 -36.53 77.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 C-N-CA 119.805 -0.758 . . . . 25.0 109.875 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -66.08 -39.77 90.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.437 1.017 . . . . 25.0 110.972 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -74.55 -26.01 59.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -96.99 -31.87 12.3 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.291 0.567 . . . . 25.0 112.144 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 80.2 m -123.52 78.18 54.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 C-N-CA 123.113 0.565 . . . . 25.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.47 -14.16 30.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 CA-C-O 121.6 0.584 . . . . 25.0 112.189 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -16.21 44.5 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.239 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.24 -49.12 74.65 Favored Pre-proline 0 CA--C 1.542 0.67 0 O-C-N 121.5 -0.75 . . . . 25.0 111.887 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.49 -18.46 43.46 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 113.314 -3.991 . . . . 25.0 113.634 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -70.15 -33.37 71.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 25.0 110.749 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.2 -27.14 63.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.07 26.24 41.5 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-N 115.978 -0.555 . . . . 25.0 114.108 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 55' ' ' ARG . 90.6 m -128.62 128.43 44.16 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -174.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -121.11 98.62 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 123.531 1.634 . . . . 25.0 109.657 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.19 163.87 31.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.444 -2.428 . . . . 25.0 104.444 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.53 -28.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.734 -0.387 . . . . 25.0 110.96 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.17 -31.09 72.15 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.79 -0.569 . . . . 25.0 110.595 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 50' ' ' THR . 31.1 mmt180 -83.99 -43.97 14.64 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.287 0.565 . . . . 25.0 109.769 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -64.63 -28.47 69.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.13 -41.75 97.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.84 -0.537 . . . . 25.0 110.569 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -58.39 -27.93 64.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.26 -39.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 25.0 109.396 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.97 -34.07 53.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.302 -0.952 . . . . 25.0 110.845 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.65 -39.29 90.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.38 -46.8 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.603 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -59.97 -37.21 78.94 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.425 -0.51 . . . . 25.0 110.192 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -67.66 -42.58 81.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 25.0 110.76 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.37 -49.98 74.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.879 0.847 . . . . 25.0 109.902 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -34.16 76.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.114 -0.948 . . . . 25.0 110.917 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -68.18 -40.65 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.631 -0.259 . . . . 25.0 111.037 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.307 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 m -77.2 -39.52 48.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.47 2.62 11.82 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.273 1.953 . . . . 25.0 116.273 -174.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.45 171.26 41.15 Favored Glycine 0 C--O 1.248 0.993 0 N-CA-C 117.464 1.746 . . . . 25.0 117.464 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.47 -17.64 38.8 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.775 2.317 . . . . 25.0 115.289 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -76.71 -18.75 58.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.977 -0.452 . . . . 25.0 110.226 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -99.08 -46.5 5.56 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.237 -0.282 . . . . 25.0 110.237 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.53 130.93 23.27 Favored Pre-proline 0 C--O 1.221 -0.433 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.29 153.17 12.34 Favored 'Trans proline' 0 CA--C 1.518 -0.298 0 C-N-CA 115.286 -2.676 . . . . 25.0 112.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.27 -21.4 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.897 -0.502 . . . . 25.0 110.85 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -73.57 -17.68 61.16 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.637 -0.665 . . . . 25.0 111.248 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.73 84.4 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -72.05 -31.44 66.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.196 0.522 . . . . 25.0 111.036 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -70.64 -45.99 64.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.27 -43.16 98.73 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.714 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.97 -37.48 76.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.712 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -65.13 -34.4 78.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 25.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.44 -42.09 98.66 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 121.002 0.43 . . . . 25.0 110.471 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.71 -31.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.782 -0.767 . . . . 25.0 109.134 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.95 -45.19 91.08 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.565 -0.709 . . . . 25.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.61 -31.62 68.65 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.152 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.94 -41.75 95.24 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 111.653 0.242 . . . . 25.0 111.653 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.0 mt -79.39 -40.01 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.284 -0.566 . . . . 25.0 110.419 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.2 -34.49 73.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 32.96 5.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 25.0 111.767 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -66.34 -21.82 66.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.292 0.567 . . . . 25.0 109.697 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -62.83 -22.18 66.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.569 0.951 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.93 9.67 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.423 0.63 . . . . 25.0 110.234 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.56 81.95 67.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -66.24 -19.33 56.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.764 -1.024 . . . . 25.0 113.857 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -62.55 -46.51 88.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.9 -29.41 6.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.428 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.336 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -58.65 -41.24 85.59 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.841 0.746 . . . . 25.0 110.922 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.9 74.66 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.176 -0.61 . . . . 25.0 110.25 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.77 62.99 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.12 -46.03 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.26 88.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.683 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -38.52 83.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.503 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -68.7 -39.71 80.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.565 -0.709 . . . . 25.0 109.536 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.46 -41.06 98.49 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.796 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.89 -45.89 92.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 25.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.39 -38.89 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.92 -40.48 93.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.794 -0.566 . . . . 25.0 111.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -74.48 -26.13 59.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.705 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.4 t -83.18 -21.47 33.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -104.24 -161.76 0.85 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.167 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.8 t -139.98 162.27 35.59 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.914 0.388 . . . . 25.0 110.002 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -62.66 -37.2 85.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.0 m -145.26 135.52 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -152.49 163.55 39.35 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 103.056 -2.942 . . . . 25.0 103.056 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.5 mt 59.21 166.4 0.06 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -75.66 71.93 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.383 0.882 . . . . 25.0 113.383 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.323 -0.992 . . . . 25.0 108.323 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.8 19.86 0.08 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.802 1.241 . . . . 25.0 113.89 -175.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -137.33 117.98 13.97 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.752 -0.592 . . . . 25.0 111.623 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -134.92 170.93 15.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 102.708 -3.071 . . . . 25.0 102.708 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.9 m170 62.67 -167.66 0.21 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 101.058 -3.682 . . . . 25.0 101.058 174.19 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.405 0 N-CA-C 114.009 0.363 . . . . 25.0 114.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.01 -35.14 79.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.905 0.352 . . . . 25.0 111.836 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -78.37 -33.41 48.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.414 0.626 . . . . 25.0 111.541 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 mt -62.83 -39.85 95.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.292 -0.413 . . . . 25.0 111.238 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -12.59 32.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.36 -10.63 22.04 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.204 0.526 . . . . 25.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -90.52 89.23 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.07 -38.16 56.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -62.88 -31.11 72.09 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.339 -0.851 . . . . 25.0 112.486 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -78.79 -38.26 38.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.76 -37.83 61.87 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.462 -0.569 . . . . 25.0 109.462 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.55 -45.78 92.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -70.34 -41.28 73.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 25.0 110.169 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.26 -24.72 65.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.01 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -56.44 -44.22 80.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -75.5 -41.34 55.59 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.966 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.13 99.47 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.784 -0.573 . . . . 25.0 112.148 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.97 -42.43 94.1 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -74.99 -39.5 61.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 p -67.05 -26.46 66.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 117.785 0.266 . . . . 25.0 111.583 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.993 -0.283 . . . . 25.0 110.547 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 3.18 81.27 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-O 121.319 0.4 . . . . 25.0 113.21 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.48 125.84 41.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.384 -1.709 . . . . 25.0 106.384 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -83.23 84.4 7.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.0 0.429 . . . . 25.0 110.082 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.62 158.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -102.81 170.21 8.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 25.0 109.62 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.44 -37.6 78.54 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 110.188 -0.301 . . . . 25.0 110.188 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.57 84.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.41 . . . . 25.0 110.414 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -74.11 -43.2 58.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.872 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.99 -54.93 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.15 -20.01 65.0 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.49 -42.6 78.59 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.011 0.434 . . . . 25.0 110.238 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -77.07 -23.8 51.94 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.222 -0.299 . . . . 25.0 111.533 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.94 -21.87 63.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.92 -21.22 29.74 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.394 -0.816 . . . . 25.0 110.48 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -73.2 -38.34 66.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.31 -0.244 . . . . 25.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -35.11 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.135 -0.353 . . . . 25.0 110.533 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -48.08 28.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 -177.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -71.31 -33.38 69.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.404 0.621 . . . . 25.0 111.703 -176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 65.1 m -121.9 78.76 40.89 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.039 -0.528 . . . . 25.0 109.749 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.42 -17.13 39.28 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.427 0.511 . . . . 25.0 112.603 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -19.56 46.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.516 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -64.74 -51.56 57.14 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.611 -0.681 . . . . 25.0 111.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.92 -17.49 32.25 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 113.803 -3.664 . . . . 25.0 113.745 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.76 -39.38 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.494 0.187 . . . . 25.0 110.923 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 -28.11 62.26 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.6 17.34 48.31 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.7 m -114.18 136.01 53.41 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.6 mt -128.27 103.99 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.795 1.283 . . . . 25.0 110.849 -172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -147.9 162.25 39.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 104.167 -2.531 . . . . 25.0 104.167 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.53 -29.58 47.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.779 0.323 . . . . 25.0 110.643 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -62.13 -36.54 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 25.0 110.461 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -85.51 -38.51 18.47 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.366 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -62.44 -29.1 70.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -59.3 -41.82 89.89 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 122.175 -0.328 . . . . 25.0 111.799 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -59.8 -25.33 64.86 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.67 -40.29 79.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.526 0.679 . . . . 25.0 109.582 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.99 -36.66 64.62 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.062 -1.215 . . . . 25.0 110.062 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -62.12 -41.72 98.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -42.06 99.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 25.0 112.011 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.76 -38.31 90.55 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.22 -42.57 88.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.679 -0.237 . . . . 25.0 110.636 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.96 -46.5 89.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.362 0.601 . . . . 25.0 110.116 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.4 -39.23 91.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.323 0.583 . . . . 25.0 110.268 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -66.0 -38.08 87.56 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 112.221 0.452 . . . . 25.0 112.221 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -30.8 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.62 -0.832 . . . . 25.0 109.807 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.6 m -69.93 -43.09 72.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.497 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.78 6.39 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 117.549 2.426 . . . . 25.0 117.549 -170.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.48 -178.61 47.45 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 174.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.44 -12.64 27.39 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.396 2.064 . . . . 25.0 114.386 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -72.71 -30.14 63.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.225 0.536 . . . . 25.0 109.902 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -97.99 -37.84 9.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.46 130.99 24.55 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.8 Cg_endo -80.21 147.92 18.71 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 114.783 -3.011 . . . . 25.0 113.583 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.17 -21.39 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 121.835 -0.541 . . . . 25.0 111.443 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HB2' ' A' ' 76' ' ' PRO . 7.2 t -70.36 -21.06 62.93 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.592 -0.693 . . . . 25.0 111.222 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.42 82.81 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.318 -0.553 . . . . 25.0 110.48 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -72.94 -30.68 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.312 0.577 . . . . 25.0 110.873 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 t -70.23 -45.3 66.81 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.2 -44.6 94.89 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.497 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -56.91 -40.63 76.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.057 0.456 . . . . 25.0 111.645 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -66.22 -33.38 75.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.799 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -63.89 -47.29 81.22 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.76 -31.32 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.219 -0.926 . . . . 25.0 109.266 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -58.57 -42.65 88.49 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.815 -0.553 . . . . 25.0 110.606 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -27.85 60.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.878 0.763 . . . . 25.0 110.651 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.35 -45.93 85.68 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.6 mt -72.56 -41.3 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.106 0.479 . . . . 25.0 111.108 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -115.6 29.61 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.154 0.428 . . . . 25.0 112.154 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -62.27 -25.36 67.8 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.201 0.524 . . . . 25.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -49.05 77.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.196 0.998 . . . . 25.0 113.225 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.06 6.73 6.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.413 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.93 85.79 50.51 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -66.9 -23.71 47.06 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 117.66 -1.094 . . . . 25.0 114.493 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -66.92 -28.2 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.8 -49.06 16.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 CA-C-N 115.983 -0.553 . . . . 25.0 109.968 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -39.74 75.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.97 79.44 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 120.452 -0.499 . . . . 25.0 110.404 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.1 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.679 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.18 -49.55 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.39 94.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.815 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.77 -39.77 90.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.749 0.309 . . . . 25.0 111.415 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -68.85 -38.9 80.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.052 -0.659 . . . . 25.0 109.235 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.45 -42.05 95.35 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.342 -0.543 . . . . 25.0 111.119 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -59.04 -47.31 85.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.375 0.607 . . . . 25.0 110.353 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -38.49 82.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.568 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.11 -39.78 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.224 -0.298 . . . . 25.0 111.501 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.979 0.419 . . . . 25.0 110.176 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -68.59 -20.4 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.327 0.491 . . . . 25.0 112.327 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m 47.11 50.21 14.33 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.763 1.764 . . . . 25.0 115.763 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -88.5 2.45 52.86 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.073 0.463 . . . . 25.0 111.25 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 140.22 58.75 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 51.09 -154.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 124.39 1.056 . . . . 25.0 111.43 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.4 mt 55.04 -138.37 1.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 120' ' ' HIS . 1.7 tm-20 -140.44 177.45 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 103.454 -2.795 . . . . 25.0 103.454 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.535 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 1.2 t60 66.6 36.26 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.65 0.78 . . . . 25.0 111.822 172.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -63.41 2.24 0.43 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.703 1.742 . . . . 25.0 115.703 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -146.61 150.74 36.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t60 61.29 105.66 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.729 1.212 . . . . 25.0 111.348 -172.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -65.4 132.38 48.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 116.172 -1.87 . . . . 25.0 112.759 -179.02 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 N-CA-C 111.706 -0.558 . . . . 25.0 111.706 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.998 0.399 . . . . 25.0 110.991 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.44 -24.14 53.93 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.231 -0.587 . . . . 25.0 110.826 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.47 -0.769 . . . . 25.0 111.065 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -10.31 47.05 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -107.15 -15.82 14.57 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.507 0.67 . . . . 25.0 109.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -82.13 86.18 6.66 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 105.673 -1.973 . . . . 25.0 105.673 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -52.73 -35.02 55.18 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 114.969 1.47 . . . . 25.0 114.969 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.29 -37.48 83.37 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.531 0.605 . . . . 25.0 112.017 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -75.64 -36.48 60.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.587 -0.696 . . . . 25.0 109.269 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.8 t -59.04 -40.53 80.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.9 -45.58 89.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.263 0.483 . . . . 25.0 112.066 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.26 -39.78 95.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.362 -0.535 . . . . 25.0 109.579 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.01 -23.55 64.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -58.15 -40.56 81.71 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.87 -39.25 20.12 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.396 -0.82 . . . . 25.0 111.617 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.99 83.79 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.41 -40.8 96.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.826 -1.175 . . . . 25.0 107.826 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.51 -45.05 85.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.335 -0.848 . . . . 25.0 113.013 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 p -69.22 -20.12 63.96 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.328 -0.232 . . . . 25.0 111.363 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -23.44 61.28 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.69 10.03 79.46 Favored Glycine 0 CA--C 1.516 0.105 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.363 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.48 122.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.13 84.62 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.38 141.62 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -75.26 145.08 42.18 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 107.512 -1.292 . . . . 25.0 107.512 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -52.08 64.67 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 25.0 111.297 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -84.68 -34.71 22.93 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 122.202 -0.311 . . . . 25.0 111.085 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.01 -51.8 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.449 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.01 -19.82 47.22 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -53.57 -45.16 69.81 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.478 0.656 . . . . 25.0 109.616 171.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -75.53 -23.94 56.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.434 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.43 -23.85 62.8 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.99 -27.34 26.53 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.595 -0.691 . . . . 25.0 110.438 174.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -67.47 -33.85 75.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -30.64 49.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.607 -0.683 . . . . 25.0 109.912 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -60.12 -38.2 82.29 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.154 -0.341 . . . . 25.0 111.598 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -64.01 -51.74 62.81 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.358 0.599 . . . . 25.0 111.321 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -81.88 -26.46 34.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.41 74.11 80.0 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 112.395 0.516 . . . . 25.0 112.395 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.22 -12.47 30.07 Favored 'Trans proline' 0 C--N 1.345 0.347 0 CA-C-O 121.919 0.716 . . . . 25.0 111.881 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -11.27 53.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.401 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.82 -50.33 64.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 O-C-N 121.728 -0.608 . . . . 25.0 111.723 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.46 -22.61 44.89 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 113.626 -3.783 . . . . 25.0 113.993 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.246 -0.283 . . . . 25.0 111.606 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -65.94 -29.92 70.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 25.0 110.668 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.99 29.11 73.31 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 114.509 0.564 . . . . 25.0 114.509 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -146.66 139.66 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -125.06 112.3 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.474 1.13 . . . . 25.0 110.178 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.59 161.28 42.01 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.18 -31.8 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.804 -0.18 . . . . 25.0 111.196 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -67.42 -31.44 71.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.979 -0.45 . . . . 25.0 110.701 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -80.42 -36.66 33.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -62.68 -25.76 68.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -52.8 -47.24 67.74 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.42 -30.23 62.55 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.09 -39.32 81.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.358 0.599 . . . . 25.0 109.816 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.06 -35.7 53.11 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.448 -1.061 . . . . 25.0 110.448 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.95 -39.82 95.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -45.73 88.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.522 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.25 -33.27 74.28 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.615 -0.434 . . . . 25.0 109.996 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.97 -41.82 90.67 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.141 -0.224 . . . . 25.0 110.74 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.53 -33.29 60.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.677 0.751 . . . . 25.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.55 91.71 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -69.44 -38.85 78.01 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.851 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.953 -0.467 . . . . 25.0 110.754 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -71.75 -42.14 67.58 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.34 3.32 9.74 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.961 1.838 . . . . 25.0 115.961 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.43 -176.9 54.05 Favored Glycine 0 C--O 1.242 0.638 0 N-CA-C 115.428 0.931 . . . . 25.0 115.428 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.28 -9.38 24.24 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.744 2.296 . . . . 25.0 115.306 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -78.7 -32.07 46.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 25.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -88.18 -40.51 13.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.66 -0.245 . . . . 25.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.51 130.95 24.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.33 154.46 18.75 Favored 'Trans proline' 0 CA--C 1.519 -0.245 0 C-N-CA 115.571 -2.486 . . . . 25.0 112.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.08 -20.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.788 -0.57 . . . . 25.0 110.335 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -74.08 -17.28 60.98 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 121.724 -0.61 . . . . 25.0 111.151 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.13 81.66 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -71.28 -31.46 67.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.088 0.471 . . . . 25.0 111.387 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -71.84 -45.57 60.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -63.03 -42.03 99.68 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.563 -0.744 . . . . 25.0 109.542 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.8 -39.95 90.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.834 0.35 . . . . 25.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.37 -28.38 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 25.0 111.604 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.8 -46.01 83.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.5 -30.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.51 -48.04 83.19 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.739 -0.601 . . . . 25.0 110.149 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.41 -22.46 61.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.908 0.776 . . . . 25.0 110.771 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.5 tp -75.75 -42.59 50.01 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.039 0.535 . . . . 25.0 111.293 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.3 mt -72.9 -37.77 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.61 -31.32 66.1 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.259 0.552 . . . . 25.0 111.622 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -108.29 21.21 17.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.55 -23.0 66.75 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.16 -31.61 72.8 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.4 m -110.4 9.41 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.716 0.769 . . . . 25.0 109.955 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -124.96 80.43 63.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -65.58 -17.35 56.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 117.075 -1.483 . . . . 25.0 113.308 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.23 -43.11 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.78 -28.47 6.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 C-N-CA 119.883 -0.727 . . . . 25.0 111.364 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -36.95 81.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.427 -0.796 . . . . 25.0 110.53 -177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.68 71.43 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.145 0.498 . . . . 25.0 110.757 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.12 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.38 -49.66 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.51 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.465 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -39.45 93.56 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.618 -0.433 . . . . 25.0 111.821 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 m -69.98 -36.27 75.05 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.383 -0.927 . . . . 25.0 108.715 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -59.58 -38.53 81.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.147 0.431 . . . . 25.0 111.594 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.89 -44.2 97.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.918 0.866 . . . . 25.0 109.493 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.31 -31.72 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.65 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.56 -37.5 87.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.651 -0.656 . . . . 25.0 110.293 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.39 -26.37 66.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 120.743 -0.383 . . . . 25.0 110.508 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.8 t -79.7 -22.11 43.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.769 0.319 . . . . 25.0 111.094 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -33.89 19.59 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.99 0.424 . . . . 25.0 110.586 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -74.19 129.15 37.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.11 5.72 7.88 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 -173.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.06 38.19 0.21 Allowed 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -174.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.97 7.12 0.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 126.345 1.858 . . . . 25.0 114.781 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.88 143.21 56.99 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.463 -0.773 . . . . 25.0 109.083 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 64.06 -18.38 0.07 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.97 1.841 . . . . 25.0 115.97 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -64.36 -17.46 63.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.687 0.756 . . . . 25.0 110.581 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -150.14 166.36 30.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 104.929 -2.248 . . . . 25.0 104.929 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.68 153.97 34.34 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.336 0.516 . . . . 25.0 109.757 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -156.11 151.35 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 105.82 -1.919 . . . . 25.0 105.82 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -71.42 158.78 35.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.259 1.602 1 N-CA-C 100.145 -4.02 . . . . 25.0 100.145 166.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.431 0 N-CA-C 110.358 -1.097 . . . . 25.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -65.95 -35.98 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.51 -44.44 90.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.381 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -64.89 -40.75 95.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.242 -0.286 . . . . 25.0 111.261 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -61.17 -20.08 62.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -99.68 -14.95 18.7 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.365 0.603 . . . . 25.0 110.794 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -84.74 90.63 7.77 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.82 -35.39 32.05 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 114.798 1.407 . . . . 25.0 114.798 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.85 -30.99 71.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.035 0.834 . . . . 25.0 113.019 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -70.56 -43.21 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.11 -35.47 68.92 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-N 114.93 -1.032 . . . . 25.0 110.025 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -54.69 -49.59 70.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.225 0.92 . . . . 25.0 111.603 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -68.45 -39.73 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.202 0.525 . . . . 25.0 110.449 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -23.82 64.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -62.01 -44.41 96.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -74.97 -35.04 62.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.595 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.12 79.39 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.37 -42.21 99.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.48 -48.44 75.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -73.57 -20.24 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.155 -0.341 . . . . 25.0 111.795 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -75.92 -22.74 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 16.73 79.03 Favored Glycine 0 N--CA 1.455 -0.083 0 N-CA-C 111.844 -0.502 . . . . 25.0 111.844 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.16 115.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.153 0.978 . . . . 25.0 109.302 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -81.69 84.28 6.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 25.0 108.994 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.12 150.05 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.73 142.45 46.32 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -48.06 79.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.35 71.12 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.801 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -74.35 -41.24 61.38 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -51.37 62.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.364 -0.934 . . . . 25.0 109.829 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.98 -19.99 64.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -63.9 -32.08 73.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.372 -0.83 . . . . 25.0 110.255 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -78.03 -23.82 48.04 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.326 -0.859 . . . . 25.0 111.037 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.01 -21.91 62.23 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 171.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.91 -34.95 22.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.523 0.677 . . . . 25.0 110.874 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.15 -34.05 75.66 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -33.34 56.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 O-C-N 122.192 -0.317 . . . . 25.0 110.695 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -61.01 -34.32 74.64 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.77 -51.15 20.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.952 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -64.58 -38.47 91.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.873 0.844 . . . . 25.0 110.827 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.1 m -121.71 80.95 40.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.077 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -69.75 -14.3 35.91 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 CA-C-O 121.728 0.637 . . . . 25.0 112.216 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.57 -15.39 37.54 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.78 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.89 -47.03 75.31 Favored Pre-proline 0 N--CA 1.471 0.598 0 N-CA-C 114.207 1.188 . . . . 25.0 114.207 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.18 -24.31 44.48 Favored 'Trans proline' 0 C--N 1.355 0.894 1 C-N-CA 112.807 -4.328 . . . . 25.0 113.369 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -15.53 62.34 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.24 -24.57 64.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.61 17.6 20.72 Favored Glycine 0 C--O 1.223 -0.557 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.3 m -139.81 139.0 36.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -111.7 115.63 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.491 1.139 . . . . 25.0 108.931 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -152.16 156.72 40.37 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 tp -66.3 -29.61 47.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.589 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -66.03 -36.38 83.11 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.672 -0.642 . . . . 25.0 109.38 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -78.37 -37.31 44.49 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.434 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -66.59 -29.49 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.888 0.375 . . . . 25.0 111.925 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.76 -40.06 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.805 -0.559 . . . . 25.0 110.855 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -54.96 -32.81 61.79 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.06 -39.05 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.301 0.572 . . . . 25.0 109.993 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.9 -37.95 75.05 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -62.18 -40.16 95.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.245 -1.02 . . . . 25.0 108.245 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -41.0 94.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.376 -0.829 . . . . 25.0 112.363 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.65 -36.06 82.59 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -64.69 -43.15 94.45 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.6 -45.63 86.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.865 0.84 . . . . 25.0 111.104 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -36.74 84.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.24 -0.891 . . . . 25.0 109.53 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.62 -41.71 71.88 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.869 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.42 -33.78 75.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.897 -0.502 . . . . 25.0 110.775 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.3 m -76.58 -40.74 48.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -120.35 2.41 10.8 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 115.918 1.822 . . . . 25.0 115.918 -172.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.7 -176.23 53.86 Favored Glycine 0 C--O 1.244 0.74 0 N-CA-C 114.948 0.739 . . . . 25.0 114.948 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.86 -13.0 31.6 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.388 1.392 . . . . 25.0 113.697 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.277 0.561 . . . . 25.0 110.416 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -101.34 -35.23 9.3 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.013 0.745 . . . . 25.0 113.013 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.15 130.81 23.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -81.39 154.33 18.57 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 115.648 -2.435 . . . . 25.0 111.539 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.02 -20.46 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.608 -0.682 . . . . 25.0 110.784 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -73.71 -19.34 60.84 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.662 -0.649 . . . . 25.0 111.213 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.89 80.97 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.707 -0.62 . . . . 25.0 109.802 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -70.55 -30.73 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.559 . . . . 25.0 110.868 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -73.76 -45.16 53.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.12 -45.83 91.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.257 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.84 -40.46 80.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.822 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -63.63 -30.86 71.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.213 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.09 -43.3 82.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.373 0.606 . . . . 25.0 109.411 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.73 -29.99 23.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.704 -0.623 . . . . 25.0 109.664 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -58.92 -47.01 86.57 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.93 -27.87 62.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.96 -0.696 . . . . 25.0 110.982 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.03 -40.95 97.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.96 -0.462 . . . . 25.0 111.196 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.74 -40.72 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.538 -0.465 . . . . 25.0 109.844 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.75 -31.25 70.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.949 0.404 . . . . 25.0 110.693 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -116.09 31.94 6.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.73 -18.91 65.66 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.538 0.685 . . . . 25.0 109.811 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.79 -31.74 71.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.026 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.6 8.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.547 0.689 . . . . 25.0 110.225 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -125.93 82.83 63.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.878 -0.601 . . . . 25.0 109.83 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.49 -18.69 38.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.623 -1.118 . . . . 25.0 113.81 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -64.37 -44.75 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.86 -25.32 6.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.986 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -35.81 78.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.638 -0.664 . . . . 25.0 110.37 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.54 74.13 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 122.044 -0.41 . . . . 25.0 110.887 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.74 -31.66 52.25 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.058 -0.401 . . . . 25.0 109.994 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -47.3 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.32 83.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.079 -0.509 . . . . 25.0 110.94 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.67 -36.68 83.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.598 -0.441 . . . . 25.0 111.968 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -60.51 -45.0 95.42 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -58.75 -46.33 87.68 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.942 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -65.56 -36.73 84.64 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.838 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.9 mt -69.37 -37.71 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.18 -39.03 92.34 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.032 -0.417 . . . . 25.0 111.17 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -66.6 -28.44 68.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.944 0.402 . . . . 25.0 110.677 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 t -83.58 -23.15 32.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.66 125.09 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 -175.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 p -151.76 175.46 12.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 54.9 40.09 31.83 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.112 0.958 . . . . 25.0 110.016 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -149.66 121.65 8.23 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.42 110.12 4.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.932 -1.031 . . . . 25.0 108.571 -171.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.86 143.05 40.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.67 154.24 42.58 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.899 -1.148 . . . . 25.0 107.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -131.18 -49.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.207 -1.034 . . . . 25.0 108.207 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -159.72 141.28 12.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.82 139.13 58.69 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.92 152.37 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 -172.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -79.91 42.34 0.54 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.053 0.388 . . . . 25.0 111.459 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.7 m80 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 -160.822 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.163 0 N-CA-C 111.99 -0.444 . . . . 25.0 111.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -62.2 -35.55 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.453 0.168 . . . . 25.0 111.453 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -32.8 21.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 122.106 -0.371 . . . . 25.0 110.239 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.86 -38.45 90.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.762 -0.586 . . . . 25.0 110.654 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -58.53 -18.69 31.45 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.433 1.642 . . . . 25.0 115.433 173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -117.28 3.1 12.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.478 0.581 . . . . 25.0 110.939 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.2 76.73 9.85 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 104.077 -2.564 . . . . 25.0 104.077 171.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.74 -28.92 6.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.327 1.973 . . . . 25.0 116.327 -168.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -71.03 -34.07 70.92 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.543 -0.723 . . . . 25.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -73.14 -39.33 65.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.75 -37.07 63.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.25 -47.28 84.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -70.69 -30.29 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.525 -0.735 . . . . 25.0 110.221 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.22 -23.5 62.94 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.089 -0.382 . . . . 25.0 111.556 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.63 -40.49 97.01 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.52 -46.8 68.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.052 -0.721 . . . . 25.0 109.052 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.87 97.94 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.387 0.884 . . . . 25.0 113.387 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.14 -40.09 96.56 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -67.99 -44.69 76.02 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -69.08 -20.86 64.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.657 0.984 . . . . 25.0 113.657 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.7 tpt85 -75.08 -17.73 60.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.215 -0.594 . . . . 25.0 109.402 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.49 8.51 86.94 Favored Glycine 0 C--O 1.227 -0.297 0 CA-C-N 116.272 -0.422 . . . . 25.0 113.059 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -111.51 119.65 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -80.71 84.77 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.412 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -101.17 141.34 17.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.8 137.04 55.07 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -47.04 74.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -35.6 75.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.022 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.41 -36.76 71.45 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.344 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -53.03 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.515 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.82 -20.65 63.87 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -60.81 -35.65 77.04 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.707 -0.621 . . . . 25.0 109.977 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -76.81 -23.9 52.81 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.526 -0.734 . . . . 25.0 111.294 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -71.54 -20.34 62.04 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.79 -36.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -66.9 -34.31 77.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -38.17 80.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -39.93 87.12 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.882 -0.511 . . . . 25.0 110.922 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.06 -42.55 99.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.237 0.541 . . . . 25.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 m -79.41 -35.04 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.402 0.62 . . . . 25.0 111.523 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HG ' ' CB ' ' A' ' 62' ' ' CYS . 6.6 m -120.88 85.94 40.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 122.946 0.498 . . . . 25.0 111.097 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -70.28 -15.37 35.11 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 117.813 -0.991 . . . . 25.0 113.015 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.17 -14.16 44.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.377 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.77 -48.36 52.84 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.121 -0.987 . . . . 25.0 112.018 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.71 -22.69 31.97 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 114.245 -3.37 . . . . 25.0 113.343 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.13 -33.94 76.91 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.895 0.478 . . . . 25.0 111.342 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.04 -29.72 70.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 25.0 110.705 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.97 16.96 42.21 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.427 -0.351 . . . . 25.0 113.788 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -128.82 132.06 47.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -173.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mm -109.65 110.53 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 CA-C-O 122.857 1.313 . . . . 25.0 107.521 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.23 159.39 44.41 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.049 -1.432 . . . . 25.0 108.882 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.79 -32.37 56.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.653 -1.158 . . . . 25.0 111.789 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 48.1 mtmt -68.67 -36.89 79.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.868 -0.52 . . . . 25.0 109.684 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -73.44 -33.22 64.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -65.72 -29.96 70.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.345 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 23.4 mmt180 -58.44 -43.7 88.86 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -65.69 -24.97 67.12 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.79 -37.02 78.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.037 -1.098 . . . . 25.0 108.037 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -37.25 67.33 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.137 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.31 -43.83 92.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -61.99 -45.72 92.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.311 -0.859 . . . . 25.0 112.245 -179.155 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.56 -38.11 89.89 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.927 -0.709 . . . . 25.0 109.499 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.9 -47.71 76.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.886 0.374 . . . . 25.0 110.332 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -66.79 -41.02 88.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.92 0.391 . . . . 25.0 110.283 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.14 -38.4 88.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.221 -0.299 . . . . 25.0 110.67 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -69.51 -32.64 71.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 25.0 110.795 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -78.88 -41.02 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.5 1.77 11.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.55 177.2 46.29 Favored Glycine 0 C--O 1.242 0.641 0 N-CA-C 116.248 1.259 . . . . 25.0 116.248 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.73 -11.03 25.69 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.725 2.283 . . . . 25.0 114.46 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.53 -34.08 54.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.936 0.398 . . . . 25.0 110.177 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.99 -41.62 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.276 . . . . 25.0 111.035 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.0 t -114.82 130.85 23.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.73 153.38 15.19 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 115.485 -2.543 . . . . 25.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.33 -20.23 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.301 0.572 . . . . 25.0 110.332 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 t -73.4 -16.79 61.32 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 121.721 -0.612 . . . . 25.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.98 83.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.65 -32.41 67.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 25.0 111.158 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -70.09 -45.51 66.82 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.69 -40.85 97.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.336 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -58.91 -41.54 87.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.489 -0.323 . . . . 25.0 110.749 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -65.22 -28.68 69.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.814 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 tt -65.35 -42.2 93.06 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 120.707 0.289 . . . . 25.0 110.264 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.55 -30.1 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 121.539 -0.725 . . . . 25.0 109.137 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -55.77 -50.79 69.47 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.82 -26.89 65.41 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.844 -0.342 . . . . 25.0 111.193 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.29 -36.68 69.02 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.622 -0.228 . . . . 25.0 111.35 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.15 -40.42 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.98 -37.07 73.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.075 0.464 . . . . 25.0 110.266 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -115.54 34.99 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 25.0 112.072 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -65.07 -21.26 66.79 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.037 0.446 . . . . 25.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.26 -34.67 76.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.67 6.85 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.61 0.719 . . . . 25.0 109.944 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -125.87 77.95 70.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.47 -21.62 53.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.229 -1.38 . . . . 25.0 114.26 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.91 -37.6 84.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.099 -0.376 . . . . 25.0 110.376 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.9 -27.83 6.65 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 119.858 -0.737 . . . . 25.0 110.094 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.13 -38.13 85.27 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.33 71.43 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.657 -0.652 . . . . 25.0 110.851 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.41 53.07 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 122.082 -0.386 . . . . 25.0 110.092 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.05 -53.1 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.68 98.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.078 0.466 . . . . 25.0 111.63 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.22 -45.56 91.07 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.89 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.7 m -59.35 -40.82 87.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.052 -0.351 . . . . 25.0 110.052 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.15 -53.35 59.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.23 -29.48 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.25 -42.29 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.63 -37.76 87.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -56.41 -44.41 80.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.113 0.482 . . . . 25.0 110.1 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -73.02 -41.6 64.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.507 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -66.91 -23.84 66.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.6 m -68.27 0.49 3.76 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.313 1.227 . . . . 25.0 114.313 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.31 2.34 18.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.295 -0.411 . . . . 25.0 112.055 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 p -107.78 95.54 5.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.19 61.26 3.26 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.741 -1.118 . . . . 25.0 110.167 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.47 -16.82 12.81 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -172.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -88.91 105.17 17.58 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 114.723 -1.126 . . . . 25.0 111.857 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -133.46 88.28 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.32 0.581 . . . . 25.0 112.407 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 53.16 46.31 26.85 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 174.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.76 132.13 43.66 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 105.684 -1.969 . . . . 25.0 105.684 174.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -103.46 -8.74 19.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -175.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -150.62 165.68 32.61 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 103.697 -2.705 . . . . 25.0 103.697 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 116.669 -1.634 . . . . 25.0 106.675 177.065 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.486 0 N-CA-C 111.35 -0.7 . . . . 25.0 111.35 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.74 -37.61 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -82.58 -22.45 34.85 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.06 -0.656 . . . . 25.0 110.817 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.42 -35.64 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -19.11 65.72 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -96.61 -17.08 20.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.48 0.657 . . . . 25.0 110.824 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -82.41 85.39 6.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.3 -30.96 19.79 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 116.76 2.133 . . . . 25.0 116.76 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.49 -28.77 59.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.623 -0.673 . . . . 25.0 111.685 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -75.15 -42.51 55.91 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.275 -1.38 . . . . 25.0 107.275 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.34 -36.14 57.02 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.476 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.03 -49.01 74.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.771 -0.581 . . . . 25.0 112.221 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.72 -37.94 67.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 25.0 110.847 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.37 -24.96 66.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -58.37 -44.13 88.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.94 -38.92 57.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.918 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.73 90.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.34 -42.89 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.096 0.474 . . . . 25.0 110.281 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.37 -45.42 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -70.88 -14.08 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.768 0.318 . . . . 25.0 111.536 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.57 -21.25 61.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.655 0.264 . . . . 25.0 110.337 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.23 12.47 84.3 Favored Glycine 0 C--O 1.227 -0.294 0 CA-C-N 116.341 -0.39 . . . . 25.0 113.083 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.0 123.02 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -83.11 84.35 7.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 25.0 111.732 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 m -120.25 147.03 24.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -85.45 158.82 20.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -41.26 76.88 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.722 -0.217 . . . . 25.0 111.115 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.76 74.77 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.54 -45.09 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 25.0 109.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.48 -50.52 67.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 25.0 110.463 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -20.01 64.5 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -63.19 -34.7 78.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.656 -0.653 . . . . 25.0 110.074 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.74 -23.25 39.56 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.899 -0.5 . . . . 25.0 111.567 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.69 -18.5 62.16 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.35 -36.17 22.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.661 0.743 . . . . 25.0 109.064 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -63.32 -34.46 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -39.35 84.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 C-N-CA 120.094 -0.642 . . . . 25.0 109.903 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -64.24 -38.82 92.39 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.822 -0.548 . . . . 25.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 -51.42 64.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.754 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -78.41 -27.53 46.68 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 m -121.33 80.07 36.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.04 -17.26 40.92 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 118.209 -0.728 . . . . 25.0 112.899 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -13.01 59.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -67.41 -50.47 37.8 Favored Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.197 -0.94 . . . . 25.0 112.43 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.92 -21.31 37.69 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 113.897 -3.602 . . . . 25.0 113.289 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -66.21 -33.71 76.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.379 0.272 . . . . 25.0 111.188 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.57 -24.63 62.81 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.183 -0.323 . . . . 25.0 110.849 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 22.04 49.8 Favored Glycine 0 C--O 1.224 -0.488 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.479 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 17.1 m -133.13 133.47 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.635 0.718 . . . . 25.0 111.065 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.76 103.5 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-O 123.31 1.529 . . . . 25.0 109.474 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -153.09 162.72 40.98 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.308 -1.769 . . . . 25.0 108.765 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -64.4 -28.03 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.434 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -62.54 -33.5 75.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.689 -0.632 . . . . 25.0 111.17 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 3.6 mpt_? -85.29 -42.59 14.48 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.643 -0.502 . . . . 25.0 109.643 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -63.56 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -59.86 -45.81 91.29 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.965 -0.459 . . . . 25.0 110.394 176.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -61.89 -25.63 67.67 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.05 -41.8 87.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.453 0.644 . . . . 25.0 109.274 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.62 -35.13 55.84 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.311 -0.947 . . . . 25.0 110.936 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.27 -38.11 89.87 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.36 -43.92 96.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 111.615 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -63.17 -38.07 89.73 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -67.6 -41.1 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.175 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.09 -47.06 86.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.414 0.626 . . . . 25.0 109.812 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.89 -35.58 80.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.107 0.479 . . . . 25.0 111.035 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -68.19 -40.73 82.14 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -31.62 70.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.174 -0.954 . . . . 25.0 110.492 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -63.95 -44.27 93.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -127.32 5.04 6.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.365 1.987 . . . . 25.0 116.365 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.9 -166.27 50.16 Favored Glycine 0 C--O 1.242 0.656 0 O-C-N 121.421 -0.799 . . . . 25.0 113.41 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.09 -5.65 17.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.806 1.67 . . . . 25.0 113.951 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -74.32 -16.91 60.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.982 0.42 . . . . 25.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.31 -41.26 7.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.28 130.91 23.11 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.52 144.63 50.53 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.015 -2.857 . . . . 25.0 111.936 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.99 -21.58 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 121.991 -0.443 . . . . 25.0 111.677 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -74.37 -19.85 60.29 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.602 -0.686 . . . . 25.0 111.351 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.29 78.87 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.729 -0.607 . . . . 25.0 109.874 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -71.14 -29.77 65.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.106 0.479 . . . . 25.0 111.537 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -73.02 -44.76 60.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -61.33 -44.58 96.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.227 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.62 -40.65 88.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.32 -27.93 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 110.182 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.86 -30.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.221 0.534 . . . . 25.0 109.807 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -52.88 -52.02 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.358 -0.383 . . . . 25.0 111.197 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.95 -28.46 65.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.528 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.04 -40.96 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.963 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.3 -40.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.616 -0.512 . . . . 25.0 109.616 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.64 -35.05 73.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -114.54 38.09 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -59.34 -25.61 64.35 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.215 0.531 . . . . 25.0 110.208 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.49 -29.87 69.34 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.9 m -119.59 11.1 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.56 0.695 . . . . 25.0 110.172 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -122.84 77.77 49.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -67.36 -19.8 49.29 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 117.053 -1.498 . . . . 25.0 113.361 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.47 -42.65 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.01 -25.06 6.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.62 -38.9 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.994 -0.441 . . . . 25.0 110.511 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.27 72.39 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.478 -0.764 . . . . 25.0 110.981 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.75 -30.73 59.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.513 -0.312 . . . . 25.0 110.334 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.42 -50.01 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.65 88.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.995 0.426 . . . . 25.0 111.269 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.32 -39.63 95.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.357 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -65.89 -42.98 89.57 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -57.02 -44.44 82.87 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.798 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.89 -38.99 93.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.466 0.651 . . . . 25.0 111.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.24 -37.5 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.05 -40.64 96.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.923 -0.486 . . . . 25.0 110.654 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -58.38 -44.62 88.97 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.57 0.623 . . . . 25.0 109.845 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.2 t -65.45 -29.54 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -113.7 34.35 4.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.388 0.614 . . . . 25.0 111.724 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -114.93 -177.66 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.54 21.3 5.56 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.136 0.975 . . . . 25.0 113.296 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.89 31.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.498 1.142 . . . . 25.0 110.832 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.83 42.65 0.64 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.833 -1.53 . . . . 25.0 110.848 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.72 135.16 48.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.529 . . . . 25.0 111.165 -174.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -134.42 139.66 45.72 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -129.75 38.45 3.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.994 0.426 . . . . 25.0 111.575 -177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.93 108.48 1.8 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.99 0.424 . . . . 25.0 111.141 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -64.85 -23.39 67.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.236 0.541 . . . . 25.0 112.067 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -134.21 155.27 50.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.18 -2.526 . . . . 25.0 104.18 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -71.9 136.1 46.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 104.622 -2.362 . . . . 25.0 104.622 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.256 1.425 0 CA-C-O 117.156 -1.402 . . . . 25.0 108.944 -172.224 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.188 0 N-CA-C 111.281 -0.728 . . . . 25.0 111.281 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -69.37 -32.87 72.19 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.218 -0.577 . . . . 25.0 111.735 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.76 -26.64 25.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.491 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.49 -39.01 93.31 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.8 -0.563 . . . . 25.0 110.009 174.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -59.02 -19.33 42.76 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.694 1.368 . . . . 25.0 114.694 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -95.64 -13.92 23.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.822 0.283 . . . . 25.0 111.431 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -87.32 93.95 9.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -56.18 -30.96 62.96 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -69.25 -37.66 78.05 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.802 -0.561 . . . . 25.0 111.591 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -69.78 -42.78 73.34 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -57.31 -34.99 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.932 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -54.67 -49.91 69.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.746 1.157 . . . . 25.0 112.687 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 101' ' ' ALA . 14.6 mm100 -71.22 -37.06 72.07 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.363 -0.535 . . . . 25.0 109.904 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.53 -28.72 69.84 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -54.64 -45.29 73.75 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.94 -38.91 20.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.735 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.15 80.49 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -38.3 82.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.337 0.589 . . . . 25.0 109.815 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -73.68 -28.94 62.01 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -63.19 -22.61 66.98 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.349 0.522 . . . . 25.0 112.151 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -16.75 34.27 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.24 -1.3 50.2 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.609 -0.329 . . . . 25.0 113.357 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.2 t -80.27 118.58 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -83.55 84.3 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.575 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.12 154.57 37.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.897 -1.89 . . . . 25.0 105.897 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -87.45 164.18 16.32 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.33 -39.51 83.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.74 67.62 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.528 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -86.03 -45.87 11.04 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.252 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.38 -50.83 28.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.97 -24.82 67.87 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.214 -0.594 . . . . 25.0 112.072 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.35 -39.26 89.94 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.921 -0.487 . . . . 25.0 110.773 173.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.05 -23.85 43.99 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.721 -0.612 . . . . 25.0 111.933 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -66.3 -34.11 77.26 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -35.87 80.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.204 0.525 . . . . 25.0 109.902 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -28.42 36.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 119.664 -0.814 . . . . 25.0 109.657 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -69.72 -38.15 76.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.07 -49.57 64.66 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.036 -0.984 . . . . 25.0 111.197 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -70.11 -34.03 72.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.393 0.616 . . . . 25.0 112.235 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.18 79.62 72.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.693 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.66 -18.07 42.59 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.482 -0.545 . . . . 25.0 112.961 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -15.31 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.619 0.6 . . . . 25.0 112.619 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.92 -51.16 15.42 Favored Pre-proline 0 CA--C 1.541 0.616 0 O-C-N 121.476 -0.765 . . . . 25.0 112.436 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -69.62 -20.81 35.03 Favored 'Trans proline' 0 C--N 1.356 0.957 1 C-N-CA 113.091 -4.139 . . . . 25.0 112.954 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.42 -38.42 89.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.209 0.204 . . . . 25.0 111.359 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' HE ' ' A' ' 55' ' ' ARG . 20.5 pt-20 -86.58 -26.02 24.68 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.831 -0.543 . . . . 25.0 110.366 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.42 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 55.5 29.75 54.29 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.64 1.416 . . . . 25.0 116.64 172.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -121.11 130.9 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.683 -1.229 . . . . 25.0 107.683 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.79 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 123.969 1.842 . . . . 25.0 109.805 -172.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -98.55 151.84 20.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 105.25 -2.13 . . . . 25.0 105.25 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.06 -29.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -67.55 -34.06 76.29 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.235 -0.291 . . . . 25.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 48' ' ' GLU . 21.2 mtt85 -77.76 -35.27 51.88 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -61.65 -28.36 69.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.469 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -57.3 -45.32 84.26 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -63.47 -26.75 68.87 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.61 -38.42 80.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.88 56.85 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.454 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.75 -39.4 91.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.55 98.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.682 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.8 -37.6 84.99 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.191 -0.604 . . . . 25.0 109.428 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -67.93 -42.54 80.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.643 0.238 . . . . 25.0 111.643 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.13 -48.99 79.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.071 0.938 . . . . 25.0 109.316 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.51 97.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.491 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.85 -44.18 77.77 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.348 0.87 . . . . 25.0 113.348 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.11 70.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.707 -0.621 . . . . 25.0 112.086 -172.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.7 m -66.13 -42.25 89.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -127.27 2.17 6.38 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.437 2.014 . . . . 25.0 116.437 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 -165.63 53.2 Favored Glycine 0 C--O 1.244 0.72 0 C-N-CA 120.585 -0.817 . . . . 25.0 114.853 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.63 -11.49 29.79 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 121.899 1.733 . . . . 25.0 115.473 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -75.89 -22.84 55.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.734 0.302 . . . . 25.0 111.099 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -99.61 -42.33 6.94 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.81 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -76.11 150.07 33.08 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 114.45 -3.233 . . . . 25.0 112.763 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.35 -20.54 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.274 0.559 . . . . 25.0 110.795 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -74.34 -17.74 60.79 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.704 -0.623 . . . . 25.0 111.18 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.98 78.12 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 120.316 -0.554 . . . . 25.0 109.531 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -70.62 -30.8 67.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.509 . . . . 25.0 111.413 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -73.46 -43.42 60.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.18 -43.81 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.218 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -59.59 -39.11 83.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.556 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.17 -26.15 67.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.889 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.94 -45.88 76.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.42 -30.28 22.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.313 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -53.96 -52.38 60.88 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -71.57 -25.64 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.789 -0.765 . . . . 25.0 111.825 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.1 -42.43 89.3 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.093 -0.379 . . . . 25.0 111.703 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.2 mt -78.37 -40.72 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -59.96 -35.35 74.77 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.93 0.395 . . . . 25.0 110.367 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -113.98 34.2 4.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -62.42 -23.2 66.73 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.409 0.623 . . . . 25.0 109.715 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.3 -29.38 69.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.0 7.67 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.296 0.57 . . . . 25.0 110.632 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -125.82 77.86 69.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.318 -0.993 . . . . 25.0 108.318 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.7 -22.66 37.11 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.1 -1.467 . . . . 25.0 114.859 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.09 -39.63 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.207 0.527 . . . . 25.0 109.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.89 -25.69 6.89 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.03 -0.532 . . . . 25.0 109.657 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.19 -37.95 87.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 25.0 110.387 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' HE21 ' A' ' 14' ' ' GLN . . . -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.249 177.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.8 -32.07 59.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.73 -49.74 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.6 98.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.371 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -62.79 -36.78 84.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.961 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -67.37 -35.56 79.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.64 -43.4 98.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.982 -0.449 . . . . 25.0 110.444 175.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.9 -44.18 97.33 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.168 0.508 . . . . 25.0 110.973 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.84 -36.42 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.02 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.59 -38.18 83.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.904 -0.497 . . . . 25.0 111.634 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.42 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 26.9 mmtp -68.06 -25.26 65.26 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.748 -0.595 . . . . 25.0 111.861 174.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -83.49 -12.2 56.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.12 132.99 48.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -71.67 133.11 45.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.748 0.785 . . . . 25.0 112.833 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -90.12 78.9 6.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.829 -1.078 . . . . 25.0 110.098 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -156.29 155.76 32.86 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -102.07 -137.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.11 148.62 49.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.789 0.804 . . . . 25.0 110.723 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -144.24 145.71 32.21 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 49.21 38.21 12.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.968 0.907 . . . . 25.0 112.075 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 60.12 18.46 7.78 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.275 1.213 . . . . 25.0 114.275 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -69.11 110.11 4.36 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -136.99 35.18 2.59 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t60 60.94 -156.12 0.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 102.794 -3.039 . . . . 25.0 102.794 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.136 0 CA-C-O 120.465 -0.075 . . . . 25.0 112.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.91 -37.49 78.99 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -37.46 85.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.619 0.724 . . . . 25.0 109.918 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.45 -41.52 76.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.984 -0.448 . . . . 25.0 111.269 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -70.72 -12.12 61.36 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.82 -24.36 19.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -83.83 88.82 7.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.456 0.646 . . . . 25.0 109.816 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.26 -38.37 12.31 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 116.638 2.088 . . . . 25.0 116.638 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -66.65 -28.26 68.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.497 -0.752 . . . . 25.0 112.577 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -76.23 -38.19 56.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -58.25 -36.05 56.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -55.81 -47.3 77.39 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.8 -39.31 66.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.278 0.561 . . . . 25.0 110.107 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.84 -23.57 65.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -57.42 -44.04 84.29 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -69.26 -45.98 68.4 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.118 -0.946 . . . . 25.0 109.572 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.81 96.51 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -41.29 98.95 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.53 -43.04 70.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 p -66.24 -27.34 67.89 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -71.11 -21.25 62.23 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.584 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.48 80.84 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 121.528 -0.368 . . . . 25.0 112.989 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -97.94 121.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.81 84.38 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.592 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.84 161.71 38.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.08 146.75 24.39 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.996 -1.112 . . . . 25.0 107.996 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.33 -49.51 43.84 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.03 68.21 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.03 -22.99 26.95 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -52.77 5.95 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.2 0.455 . . . . 25.0 110.631 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.02 -19.97 61.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.13 -39.95 63.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.241 0.543 . . . . 25.0 110.628 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -82.06 -23.92 35.57 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.199 -0.313 . . . . 25.0 111.755 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.42 -20.85 62.06 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 174.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -35.56 21.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.795 -0.566 . . . . 25.0 110.242 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.7 -35.74 77.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.96 -31.85 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 122.029 -0.419 . . . . 25.0 110.986 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.81 -35.04 78.61 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.723 -0.611 . . . . 25.0 111.859 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.36 -52.22 29.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 25.0 110.914 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -70.19 -28.34 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.622 0.725 . . . . 25.0 112.408 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -132.16 78.68 68.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.431 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.22 -14.82 31.73 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-O 121.727 0.636 . . . . 25.0 112.362 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -16.95 48.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.884 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.38 -51.67 59.0 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.004 -0.435 . . . . 25.0 111.883 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -71.58 -23.42 23.23 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 113.707 -3.729 . . . . 25.0 114.1 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -39.65 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.876 0.324 . . . . 25.0 111.876 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' A' ' 55' ' ' ARG . 40.8 mt-10 -77.5 -20.44 54.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.063 -0.718 . . . . 25.0 109.063 176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.29 27.95 58.44 Favored Glycine 0 C--O 1.227 -0.289 0 N-CA-C 116.397 1.319 . . . . 25.0 116.397 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -126.75 131.82 51.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.71 103.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.573 1.177 . . . . 25.0 110.006 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.91 164.16 33.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.314 -2.106 . . . . 25.0 105.314 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -65.75 -31.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 -171.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -70.85 -25.27 62.75 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.781 -0.574 . . . . 25.0 109.974 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' A' ' 48' ' ' GLU . 58.9 mtt-85 -85.33 -37.93 19.37 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.659 0.266 . . . . 25.0 110.642 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -63.84 -36.34 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.676 0.621 . . . . 25.0 112.676 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -64.31 -34.48 78.23 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.189 -0.604 . . . . 25.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -60.05 -27.76 67.21 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.783 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.59 -36.75 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.15 -36.92 72.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.26 -40.68 97.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.796 -1.186 . . . . 25.0 107.796 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -43.42 95.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.659 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.19 -34.99 78.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.05 -45.14 93.65 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -73.14 -33.53 65.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.351 0.596 . . . . 25.0 111.417 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.07 -39.46 94.13 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -69.07 -41.06 78.06 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.963 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -59.44 -23.9 63.07 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.185 -0.322 . . . . 25.0 111.534 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.7 m -64.65 -55.96 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.4 12.02 6.95 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.47 2.026 . . . . 25.0 116.47 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.46 -151.05 37.54 Favored Glycine 0 C--O 1.243 0.685 0 C-N-CA 120.609 -0.805 . . . . 25.0 111.775 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.3 -11.57 32.38 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 118.607 1.204 . . . . 25.0 114.33 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.02 -22.03 62.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 25.0 110.516 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -95.22 -38.37 10.6 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.4 t -134.34 130.95 20.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.52 147.69 41.29 Favored 'Trans proline' 0 CA--C 1.517 -0.344 0 C-N-CA 114.136 -3.443 . . . . 25.0 110.755 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.58 -21.39 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.639 -0.663 . . . . 25.0 111.721 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -71.49 -23.58 61.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 121.512 -0.742 . . . . 25.0 111.186 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.72 81.37 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 119.982 -0.687 . . . . 25.0 110.421 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -69.65 -31.64 69.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.406 0.622 . . . . 25.0 110.944 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -72.29 -43.42 64.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -64.43 -39.41 93.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 25.0 110.075 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -61.06 -38.59 86.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 25.0 111.778 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.74 -44.47 77.47 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.13 -29.61 29.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.231 -0.988 . . . . 25.0 108.687 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -58.38 -50.97 71.78 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.57 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -67.86 -30.14 69.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 120.572 -0.451 . . . . 25.0 110.785 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.6 -41.17 76.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.55 -39.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.38 -29.59 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 25.0 111.065 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -117.65 33.28 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -63.56 -21.76 66.52 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.239 0.543 . . . . 25.0 109.617 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -62.06 -29.01 70.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.34 10.02 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.275 0.56 . . . . 25.0 111.116 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -125.01 86.12 57.05 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.773 -0.455 . . . . 25.0 109.773 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.12 -22.57 40.88 Favored 'Trans proline' 0 C--N 1.346 0.436 0 N-CA-C 114.92 1.085 . . . . 25.0 114.92 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -65.33 -47.4 76.63 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.21 -30.86 12.9 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 C-N-CA 119.281 -0.967 . . . . 25.0 110.178 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -57.64 -42.06 82.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 118.562 0.619 . . . . 25.0 110.791 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.4 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.517 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.07 -31.59 58.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.99 -49.79 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.59 96.86 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.96 -36.43 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -67.78 -39.73 84.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.261 -1.015 . . . . 25.0 108.261 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.08 -39.7 93.34 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.265 -0.272 . . . . 25.0 110.675 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.01 -47.39 74.63 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.005 0.431 . . . . 25.0 111.943 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.34 -34.8 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.2 -32.62 72.38 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -67.2 -34.76 78.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.094 0.406 . . . . 25.0 111.39 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -83.47 -57.65 3.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.41 29.41 1.98 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.595 1.158 . . . . 25.0 112.919 -174.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.8 p -86.9 171.83 10.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 56.57 21.9 6.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.31 1.044 . . . . 25.0 112.875 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.33 144.52 37.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.693 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -156.52 161.25 40.01 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 103.821 -2.659 . . . . 25.0 103.821 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 51.0 mt -126.92 136.55 52.46 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.812 0.815 . . . . 25.0 112.971 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.52 143.92 51.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.047 -0.979 . . . . 25.0 108.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -127.46 -3.97 6.06 Favored 'General case' 0 C--O 1.246 0.878 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -62.74 142.48 58.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -147.81 146.8 29.28 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -110.99 -25.89 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.708 0.29 . . . . 25.0 111.539 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 159.73 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 106.048 -1.834 . . . . 25.0 106.048 173.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 C--O 1.258 1.518 1 N-CA-C 97.428 -5.027 . . . . 25.0 97.428 169.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.559 0 N-CA-C 110.801 -0.92 . . . . 25.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -67.12 -24.34 65.92 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 122.533 -0.392 . . . . 25.0 111.81 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -85.5 -44.28 12.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.457 0.646 . . . . 25.0 111.606 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.79 -40.66 97.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -59.24 -21.45 59.58 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -91.79 -19.66 22.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.017 0.826 . . . . 25.0 110.337 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.17 91.4 7.69 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.09 -32.14 63.88 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -56.26 -37.27 69.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.514 0.673 . . . . 25.0 110.932 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -82.6 -43.16 17.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.563 -0.744 . . . . 25.0 110.145 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.35 -43.93 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.21 -38.92 88.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.558 0.617 . . . . 25.0 111.088 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.23 71.93 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -23.44 66.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.0 -30.29 70.85 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.054 -0.721 . . . . 25.0 109.054 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.5 -48.36 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.71 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -39.6 90.6 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.949 -0.469 . . . . 25.0 110.716 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -76.5 -38.09 55.78 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.3 p -67.53 -19.8 65.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -73.41 -18.53 61.14 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 120.271 -0.571 . . . . 25.0 110.439 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 -0.49 83.78 Favored Glycine 0 CA--C 1.517 0.188 0 CA-C-O 121.836 0.687 . . . . 25.0 112.405 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.27 132.6 34.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -82.48 84.48 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 146.73 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.527 0.68 . . . . 25.0 110.17 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -85.68 132.56 34.13 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.874 -1.528 . . . . 25.0 106.874 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -49.1 69.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.42 76.0 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.961 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -75.09 -38.17 61.3 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.14 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -49.41 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.557 -0.857 . . . . 25.0 109.671 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.05 -34.17 69.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.471 -0.786 . . . . 25.0 112.678 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -26.41 68.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.502 -0.749 . . . . 25.0 112.732 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -76.23 -26.57 56.19 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.544 -0.722 . . . . 25.0 109.871 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -72.79 -28.7 62.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.47 -35.7 68.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.04 -30.35 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.842 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -60.93 -50.72 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.229 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -65.72 -40.54 92.3 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.466 -0.894 . . . . 25.0 111.424 -170.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -24.93 64.04 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 m -97.2 -34.07 11.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.361 0.6 . . . . 25.0 112.347 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -121.59 78.32 37.71 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 123.541 0.736 . . . . 25.0 110.072 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -70.66 -18.47 32.75 Favored 'Trans proline' 0 C--O 1.223 -0.257 0 C-N-CA 118.075 -0.816 . . . . 25.0 113.18 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -23.87 48.59 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.32 -51.78 71.12 Favored Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 113.541 0.941 . . . . 25.0 113.541 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -68.88 -22.72 35.92 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 113.019 -4.188 . . . . 25.0 113.307 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -15.63 62.63 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.27 -19.09 58.64 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.53 21.08 40.71 Favored Glycine 0 C--O 1.222 -0.597 0 N-CA-C 115.187 0.835 . . . . 25.0 115.187 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -134.26 132.62 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.562 0.681 . . . . 25.0 110.554 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -110.78 114.59 47.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 122.408 1.099 . . . . 25.0 109.126 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.37 162.57 39.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.01 -30.04 49.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -70.77 -34.35 71.73 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.86 -0.525 . . . . 25.0 109.69 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.08 -39.86 65.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.15 -27.26 68.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.377 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -52.56 -50.13 63.55 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 120.98 0.419 . . . . 25.0 110.605 176.026 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.93 -28.85 54.2 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 114.556 -1.202 . . . . 25.0 113.419 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -71.12 -42.75 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 25.0 110.624 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -35.63 49.21 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.487 -1.045 . . . . 25.0 110.487 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.0 -39.42 94.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -50.02 73.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.958 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -59.79 -36.51 76.88 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.113 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.73 -48.11 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.384 0.142 . . . . 25.0 111.384 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -74.29 -29.95 61.87 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.289 -178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.13 -38.4 85.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.53 -38.92 84.94 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.234 175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -64.24 -32.5 74.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.995 -0.44 . . . . 25.0 110.597 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -82.87 -42.09 18.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -118.27 0.31 11.68 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.8 -178.65 48.12 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 116.722 1.449 . . . . 25.0 116.722 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.48 -16.4 34.54 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.09 1.86 . . . . 25.0 113.75 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -70.76 -19.86 62.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 25.0 110.173 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -110.23 -33.33 6.68 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.47 131.03 24.54 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.28 149.56 19.47 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 114.865 -2.957 . . . . 25.0 112.443 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.18 -20.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 25.0 110.783 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -72.5 -18.5 61.66 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 121.626 -0.671 . . . . 25.0 111.314 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.83 83.89 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.182 -0.607 . . . . 25.0 109.469 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.88 -32.87 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.247 0.546 . . . . 25.0 111.023 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -69.89 -45.64 67.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.22 -43.93 96.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.021 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -55.15 -39.49 69.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.863 0.363 . . . . 25.0 111.283 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.05 -34.89 75.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.577 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tt -63.82 -38.6 91.7 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.948 0.404 . . . . 25.0 110.465 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.16 -30.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 O-C-N 121.162 -0.962 . . . . 25.0 108.873 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -58.96 -44.41 91.47 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.569 -0.707 . . . . 25.0 110.21 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.34 -30.37 69.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.843 0.747 . . . . 25.0 110.371 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.508 HD22 HG11 ' A' ' 99' ' ' VAL . 75.0 mt -68.0 -38.6 82.81 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.122 -0.231 . . . . 25.0 111.435 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.63 -41.75 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 25.0 109.696 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.89 -40.49 84.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.203 0.525 . . . . 25.0 109.695 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.88 38.79 2.55 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -64.22 -18.14 64.23 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.228 0.537 . . . . 25.0 109.603 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.7 -32.16 72.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.98 7.9 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.661 0.743 . . . . 25.0 110.188 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -123.17 79.48 52.18 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.13 -20.4 33.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 117.778 -1.015 . . . . 25.0 114.666 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -69.61 -42.03 74.93 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.508 HG11 HD22 ' A' ' 89' ' ' LEU . 5.8 m -78.1 -25.17 14.1 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 O-C-N 121.06 -1.025 . . . . 25.0 110.21 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -36.7 80.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.76 74.59 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.012 -0.43 . . . . 25.0 110.604 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.2 61.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 122.123 -0.361 . . . . 25.0 110.548 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.57 -48.4 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.61 78.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.025 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.36 -37.75 88.5 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.9 m -64.07 -42.55 96.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -61.03 -42.62 98.81 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.415 -0.514 . . . . 25.0 112.13 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.11 -45.51 92.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.145 0.498 . . . . 25.0 109.984 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.11 -42.96 88.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.78 -40.88 96.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.286 0.494 . . . . 25.0 111.843 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -66.23 -33.15 75.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.079 0.466 . . . . 25.0 110.074 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -79.82 -16.91 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -86.78 2.47 48.72 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.724 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 m -61.55 -8.68 4.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 118.831 2.9 . . . . 25.0 118.831 -171.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -140.23 3.57 1.97 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.685 0.755 . . . . 25.0 109.796 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.0 p -129.01 21.91 5.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.938 1.351 . . . . 25.0 110.72 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -80.97 3.23 23.66 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.27 -1.787 . . . . 25.0 111.407 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 mt -104.25 139.28 39.49 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.683 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -155.3 -48.92 0.08 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.52 151.76 40.64 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.489 -0.757 . . . . 25.0 111.938 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -75.37 79.47 2.44 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.214 -0.903 . . . . 25.0 110.718 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 68.44 168.65 0.27 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.435 1.494 . . . . 25.0 110.904 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.0 137.18 53.04 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.623 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 70.3 t60 52.64 -125.53 2.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.055 0.542 . . . . 25.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--O 1.252 1.202 0 N-CA-C 100.871 -3.751 . . . . 25.0 100.871 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 113.834 0.294 . . . . 25.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -63.63 -40.68 97.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.129 0.465 . . . . 25.0 110.003 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.84 -37.57 82.07 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.21 -38.3 88.61 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.127 -0.983 . . . . 25.0 111.918 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -73.67 -25.11 60.1 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -78.04 -30.02 49.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.933 0.873 . . . . 25.0 109.922 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -77.27 85.11 3.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.626 -0.715 . . . . 25.0 109.761 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.74 -37.23 50.24 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -61.44 -28.5 69.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -84.5 -41.87 16.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.23 -37.65 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.32 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 52.6 mm-40 -52.25 -41.64 62.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.331 0.493 . . . . 25.0 112.331 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -41.16 17.33 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -32.06 73.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -173.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 56.7 pttt -66.69 -29.15 69.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 121.393 -0.817 . . . . 25.0 110.385 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.26 -38.81 63.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.34 91.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.94 -0.475 . . . . 25.0 110.891 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -41.36 90.53 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.05 -46.91 69.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -68.26 -18.43 64.54 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -22.91 63.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.61 5.48 89.9 Favored Glycine 0 C--O 1.228 -0.251 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.88 107.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -84.14 84.26 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.155 0.502 . . . . 25.0 111.037 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -126.16 135.44 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -72.03 157.05 38.52 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.926 -0.484 . . . . 25.0 110.399 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.2 -43.87 74.8 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.11 71.58 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 123.273 0.358 . . . . 25.0 111.228 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -77.67 -46.85 20.75 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -51.42 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.032 -0.667 . . . . 25.0 111.727 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.3 -19.9 65.72 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -62.32 -31.26 71.85 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 119.217 -0.993 . . . . 25.0 110.482 175.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -76.4 -23.89 54.04 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.994 -1.066 . . . . 25.0 110.832 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -76.51 -22.36 54.55 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.23 -34.98 36.76 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.524 -0.735 . . . . 25.0 109.052 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.46 -38.17 90.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.998 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.54 -31.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.578 -0.701 . . . . 25.0 111.23 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.9 -42.04 97.23 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.271 -0.893 . . . . 25.0 108.891 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.75 -53.14 19.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.605 -0.725 . . . . 25.0 112.065 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -72.03 -27.54 62.78 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.476 0.655 . . . . 25.0 112.492 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 63.1 m -125.29 78.43 67.35 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 25.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.57 -14.65 37.02 Favored 'Trans proline' 0 C--N 1.346 0.395 0 CA-C-O 122.041 0.767 . . . . 25.0 111.897 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -14.68 57.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.516 175.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.26 -53.21 33.17 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 118.328 0.513 . . . . 25.0 111.092 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.26 -21.23 27.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.47 -3.887 . . . . 25.0 113.55 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.6 -37.86 87.81 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.27 -0.269 . . . . 25.0 111.319 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 56.96 33.87 64.61 Favored Glycine 0 C--O 1.227 -0.3 0 CA-C-N 116.228 -0.442 . . . . 25.0 113.73 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.3 m -123.97 126.23 45.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.802 -1.185 . . . . 25.0 107.802 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.1 mt -122.31 103.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.714 1.245 . . . . 25.0 109.943 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.54 165.58 27.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.66 -30.56 50.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 117.725 0.238 . . . . 25.0 111.462 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -69.13 -31.89 70.88 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.472 -0.768 . . . . 25.0 110.215 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -76.25 -41.35 49.38 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -67.43 -30.1 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -61.6 -41.28 97.23 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 110.448 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -62.1 -25.06 67.5 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.24 -39.93 79.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.02 -36.14 64.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.482 -0.866 . . . . 25.0 110.989 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -60.18 -40.68 90.86 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 25.0 107.968 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -42.84 93.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.216 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -63.68 -37.08 85.99 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.21 -40.55 86.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.618 0.246 . . . . 25.0 110.713 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -63.18 -47.51 82.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.907 0.861 . . . . 25.0 109.493 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.52 -38.83 92.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.389 0.614 . . . . 25.0 110.223 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -65.79 -45.59 81.87 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -29.61 70.1 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -172.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -60.16 -43.05 96.09 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.23 -5.64 6.04 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.32 -161.99 39.72 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.795 -0.717 . . . . 25.0 112.446 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -70.05 -9.8 26.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.226 1.284 . . . . 25.0 115.383 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -75.46 -5.56 45.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -117.42 -43.25 2.83 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.21 130.88 24.2 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 105.772 -1.936 . . . . 25.0 105.772 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.19 151.56 38.83 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.671 -3.086 . . . . 25.0 111.87 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.7 -20.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 121.876 -0.515 . . . . 25.0 110.703 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.28 -19.38 61.69 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.734 -0.604 . . . . 25.0 111.095 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.8 82.71 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.075 -0.65 . . . . 25.0 109.417 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.2 -31.28 65.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.152 0.501 . . . . 25.0 110.852 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.2 t -71.23 -43.67 66.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -63.2 -44.04 96.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -58.49 -40.38 82.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.877 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -63.78 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.357 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.97 -43.69 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.02 -30.65 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -57.6 -45.68 85.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.03 -0.419 . . . . 25.0 110.448 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -75.1 -25.65 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.833 -0.747 . . . . 25.0 111.254 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 99' ' ' VAL . 51.5 mt -66.54 -40.34 89.03 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.05 -0.407 . . . . 25.0 110.497 175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.65 -41.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.0 -27.32 68.23 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.086 0.47 . . . . 25.0 110.966 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -119.37 35.03 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -63.67 -19.64 65.06 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.014 0.435 . . . . 25.0 110.512 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.59 8.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.504 0.668 . . . . 25.0 110.793 -175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -123.03 79.78 51.16 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.98 -21.45 56.75 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 117.855 -0.963 . . . . 25.0 114.336 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.61 -50.2 68.1 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.62 HG11 HD22 ' A' ' 89' ' ' LEU . 3.6 m -77.11 -27.71 16.32 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.5 tpt -58.23 -42.16 85.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.234 0.47 . . . . 25.0 110.152 174.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.53 77.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.32 . . . . 25.0 110.185 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.48 56.89 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.121 -0.362 . . . . 25.0 110.479 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.15 -50.16 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.27 91.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.311 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.63 -39.41 91.2 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.47 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 m -69.0 -36.67 78.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.509 -0.744 . . . . 25.0 109.667 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.54 -44.03 97.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.929 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.12 -42.04 94.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.142 -0.349 . . . . 25.0 111.715 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.55 -38.99 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.27 -40.76 94.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.092 -0.38 . . . . 25.0 111.353 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.454 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 29.9 mmtp -68.78 -30.59 69.22 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -76.0 -23.52 55.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -84.63 125.19 32.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.399 0.619 . . . . 25.0 110.723 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.5 m -63.86 130.98 46.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -116.03 104.79 11.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.495 -0.775 . . . . 25.0 110.573 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.8 p -115.39 -6.79 12.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.858 -1.064 . . . . 25.0 110.548 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -93.96 81.36 4.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.505 -1.225 . . . . 25.0 108.068 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -151.47 149.2 28.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.664 0.986 . . . . 25.0 113.664 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -98.85 -41.51 7.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.957 -1.02 . . . . 25.0 111.789 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.89 109.89 4.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 -169.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -71.17 134.1 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -72.71 166.5 22.71 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -120.7 147.65 44.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.3 m170 57.81 -164.63 0.17 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 -174.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 CA--C 1.509 -0.61 0 N-CA-C 102.495 -3.15 . . . . 25.0 102.495 175.825 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.573 0 CA-C-O 119.977 -0.346 . . . . 25.0 113.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.69 -38.61 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.866 0.833 . . . . 25.0 110.84 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -31.82 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.92 -39.96 83.43 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.069 -0.394 . . . . 25.0 110.735 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.03 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.6 -22.09 32.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.579 0.704 . . . . 25.0 110.334 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -79.39 77.02 5.96 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.18 -31.08 41.02 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -64.36 -30.22 71.27 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.603 -0.685 . . . . 25.0 111.92 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -84.19 -39.87 18.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.05 -40.09 52.86 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.679 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -52.79 -52.16 57.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.085 0.469 . . . . 25.0 111.767 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -36.38 78.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.36 -23.42 66.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -57.05 -40.25 76.44 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -73.08 -43.29 62.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.105 -0.952 . . . . 25.0 110.076 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.51 90.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.42 -40.2 96.54 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -71.36 -40.29 70.72 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 p -66.49 -21.78 66.18 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -72.47 -16.23 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.508 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.12 8.36 69.44 Favored Glycine 0 C--O 1.229 -0.191 0 N-CA-C 114.1 0.4 . . . . 25.0 114.1 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.72 137.89 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.48 84.29 7.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 25.0 109.919 -176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.14 157.09 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -104.67 152.85 21.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.81 -41.97 78.74 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.5 74.48 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 111.588 0.218 . . . . 25.0 111.588 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.4 -47.67 17.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.129 0.49 . . . . 25.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.38 -49.99 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.306 0.574 . . . . 25.0 110.174 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.31 -19.9 63.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.22 -40.0 96.23 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -72.37 -28.63 63.14 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.702 -0.623 . . . . 25.0 111.387 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.04 -21.46 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.389 0.614 . . . . 25.0 109.564 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.83 -29.52 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.385 -0.822 . . . . 25.0 110.66 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.48 -38.09 86.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.002 -0.544 . . . . 25.0 111.481 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -41.74 92.51 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -40.21 95.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.049 -0.407 . . . . 25.0 111.682 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -26.19 66.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.722 0.267 . . . . 25.0 111.722 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -97.23 -29.42 13.58 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.443 0.639 . . . . 25.0 112.247 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.1 m -119.45 82.78 25.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 123.113 0.565 . . . . 25.0 110.876 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.27 -18.6 34.48 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 118.288 -0.674 . . . . 25.0 112.697 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -14.18 54.98 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.916 -0.583 . . . . 25.0 112.46 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.03 -49.17 36.86 Favored Pre-proline 0 CA--C 1.537 0.476 0 O-C-N 121.426 -0.796 . . . . 25.0 112.764 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.81 -22.87 42.32 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 113.46 -3.893 . . . . 25.0 113.049 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.77 -27.94 69.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.527 0.331 . . . . 25.0 111.452 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.76 -23.16 63.33 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.212 -0.305 . . . . 25.0 111.357 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.72 20.49 47.36 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 114.424 0.53 . . . . 25.0 114.424 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -132.96 133.13 42.77 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.545 0.338 . . . . 25.0 110.638 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.443 HG13 ' HB ' ' A' ' 106' ' ' THR . 40.6 mm -115.47 102.69 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 CA-C-O 123.666 1.698 . . . . 25.0 109.279 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -156.48 163.15 39.76 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 112.997 -1.91 . . . . 25.0 108.303 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.12 -26.0 37.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.91 -37.63 77.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -85.55 -43.98 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.05 0.453 . . . . 25.0 111.543 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -62.11 -27.17 68.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.3 mtt-85 -59.96 -40.4 88.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.832 -0.542 . . . . 25.0 111.303 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -59.29 -26.63 65.12 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.55 -41.12 85.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.405 0.621 . . . . 25.0 110.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.63 53.34 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.147 -1.181 . . . . 25.0 110.147 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -61.8 -39.92 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 -43.63 91.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.132 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -64.2 -36.73 85.01 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -65.43 -44.28 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.251 -0.278 . . . . 25.0 110.251 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -61.41 -49.96 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.84 0.828 . . . . 25.0 109.837 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.86 -34.81 78.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.76 -38.45 83.46 Favored 'General case' 0 C--O 1.214 -0.795 0 O-C-N 122.288 -0.257 . . . . 25.0 111.136 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.66 65.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.419 -0.8 . . . . 25.0 110.358 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 m -64.06 -41.19 97.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.33 -2.83 6.25 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 116.967 2.21 . . . . 25.0 116.967 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.79 -175.94 52.05 Favored Glycine 0 C--O 1.243 0.711 0 O-C-N 121.533 -0.729 . . . . 25.0 114.31 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.47 -7.62 21.62 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.104 1.869 . . . . 25.0 115.317 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.18 -19.92 61.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 25.0 110.138 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -101.54 -42.64 6.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 80.5 t -119.05 131.17 24.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.517 ' HB2' HG22 ' A' ' 78' ' ' THR . 91.6 Cg_endo -80.42 150.03 19.35 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 115.738 -2.374 . . . . 25.0 111.833 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.49 -24.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.22 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 76' ' ' PRO . 5.8 t -67.67 -21.51 65.35 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.945 -0.472 . . . . 25.0 111.581 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.2 -27.08 67.72 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.445 -0.785 . . . . 25.0 111.563 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -81.52 -30.67 33.11 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 m -69.64 -45.3 68.76 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.107 -1.406 . . . . 25.0 109.625 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.55 -43.69 93.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.289 175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -55.65 -41.77 74.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.974 0.416 . . . . 25.0 111.717 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.28 -33.31 75.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.479 . . . . 25.0 111.864 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 25.0 110.503 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.88 -30.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -56.1 -43.02 77.67 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.952 -0.467 . . . . 25.0 111.516 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.71 -24.82 38.53 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.203 -0.311 . . . . 25.0 110.949 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.04 -42.43 89.56 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.39 -43.28 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.769 0.319 . . . . 25.0 110.491 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.19 -38.07 82.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.4 . . . . 25.0 110.483 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -107.51 36.0 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -60.72 -24.69 65.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.258 0.551 . . . . 25.0 110.231 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.45 -32.49 70.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -112.87 10.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.681 0.753 . . . . 25.0 109.304 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -127.7 82.79 67.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.686 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.42 -17.67 43.99 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 117.628 -1.115 . . . . 25.0 113.663 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -50.96 63.75 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -76.84 -25.21 15.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.09 -0.644 . . . . 25.0 111.709 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -34.03 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.8 -0.563 . . . . 25.0 110.125 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.49 74.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.067 -0.396 . . . . 25.0 110.682 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -31.68 50.84 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 122.289 -0.257 . . . . 25.0 110.402 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.83 -51.68 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.79 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.998 -0.546 . . . . 25.0 110.881 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.79 -41.52 97.92 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.269 -0.572 . . . . 25.0 112.106 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 51' ' ' ILE . 23.5 m -65.96 -42.95 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -55.67 -46.14 77.6 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.156 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.29 -30.6 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.9 -38.44 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.07 -27.75 67.63 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.56 -38.73 77.56 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.0 t -83.44 -52.21 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 43.95 35.79 1.23 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 115.51 1.67 . . . . 25.0 115.51 -176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 t -71.6 101.71 2.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.711 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -66.34 -17.92 65.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.1 0.408 . . . . 25.0 112.1 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 m 44.35 49.05 8.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 122.38 1.086 . . . . 25.0 113.708 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 56.18 32.41 20.16 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.704 2.113 . . . . 25.0 116.704 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.54 154.45 38.63 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -69.82 72.9 0.4 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 116.463 2.024 . . . . 25.0 116.463 -176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -86.05 54.59 3.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.766 -1.208 . . . . 25.0 113.923 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 2.76 29.01 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.168 3.396 . . . . 25.0 120.168 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 42.63 39.37 1.59 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 117.979 2.585 . . . . 25.0 117.979 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -59.17 -42.17 90.14 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.406 2.002 . . . . 25.0 116.406 -171.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -116.91 161.69 18.94 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 173.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.148 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.72 -27.71 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.448 -0.442 . . . . 25.0 110.871 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -78.18 -38.38 43.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.723 0.773 . . . . 25.0 109.856 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.96 -36.47 84.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -68.16 -13.45 62.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -113.66 -3.3 13.59 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.001 0.429 . . . . 25.0 111.74 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -85.91 92.51 8.68 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 105.831 -1.914 . . . . 25.0 105.831 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -53.91 -34.71 60.34 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -172.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -56.36 -38.94 72.09 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.015 -0.428 . . . . 25.0 111.823 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -77.49 -39.74 45.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.408 0.623 . . . . 25.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.3 -38.02 66.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.599 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.924 -0.711 . . . . 25.0 109.754 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.74 -23.55 63.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -56.32 -40.94 75.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 106.686 -1.598 . . . . 25.0 106.686 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -83.81 -44.84 13.94 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.306 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.3 89.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.36 -39.59 92.51 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.5 -41.32 80.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -69.89 -23.27 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.189 0.45 . . . . 25.0 111.96 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -71.6 -21.71 61.82 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.044 -0.662 . . . . 25.0 109.458 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.66 16.77 78.7 Favored Glycine 0 C--O 1.228 -0.275 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.0 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 t -110.18 128.86 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -77.04 84.32 3.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.89 0.376 . . . . 25.0 110.907 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -119.33 135.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -74.7 145.23 43.29 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.82 -43.53 69.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.907 -0.496 . . . . 25.0 112.011 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.39 77.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.84 -40.6 68.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.305 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.97 -54.78 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 25.0 110.686 -176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -19.85 66.08 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -60.15 -35.04 74.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.628 -0.67 . . . . 25.0 109.96 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.89 -25.14 55.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.808 -0.557 . . . . 25.0 111.996 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.95 -32.38 69.24 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -38.82 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.687 0.756 . . . . 25.0 110.967 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.17 -30.26 69.21 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.05 -27.7 38.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 119.946 -0.702 . . . . 25.0 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -66.08 -43.27 87.82 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -169.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.61 -32.87 73.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.172 0.51 . . . . 25.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -77.28 -37.99 51.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.335 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.5 m -124.55 79.66 61.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 123.181 0.592 . . . . 25.0 110.42 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.37 -22.72 33.47 Favored 'Trans proline' 0 C--O 1.222 -0.324 0 CA-C-O 121.216 0.423 . . . . 25.0 112.529 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -15.04 60.04 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -64.46 -52.99 49.05 Favored Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.689 -0.632 . . . . 25.0 112.318 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.07 -20.88 24.68 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 113.628 -3.782 . . . . 25.0 114.386 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.38 -34.72 78.98 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.957 0.408 . . . . 25.0 111.005 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.21 -16.56 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 25.0 110.853 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.45 23.5 48.95 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 116.587 1.395 . . . . 25.0 116.587 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.4 m -134.92 138.0 43.68 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' HB ' ' A' ' 106' ' ' THR . 30.6 mm -116.57 115.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.354 1.073 . . . . 25.0 109.264 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -154.8 168.9 25.34 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.665 -1.152 . . . . 25.0 108.04 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.72 -38.71 80.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.419 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -61.04 -34.44 74.87 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.155 0.434 . . . . 25.0 111.884 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -78.47 -34.97 47.25 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.183 0.447 . . . . 25.0 110.058 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -64.94 -28.66 69.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -61.51 -48.3 81.69 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.54 -29.08 58.28 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 113.954 -1.475 . . . . 25.0 113.074 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.79 -41.36 85.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.451 0.643 . . . . 25.0 109.577 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.68 -36.44 67.21 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.645 -0.982 . . . . 25.0 110.645 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -38.24 89.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.04 93.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 25.0 111.606 178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.81 -39.41 94.18 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -65.41 -39.19 91.85 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.286 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.86 -50.21 74.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.986 0.898 . . . . 25.0 109.931 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -32.32 73.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.935 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.03 -38.33 69.58 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.113 -0.494 . . . . 25.0 112.201 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -32.04 67.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.267 -0.896 . . . . 25.0 109.417 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.1 m -66.22 -42.99 87.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.448 -0.796 . . . . 25.0 113.041 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.23 3.64 6.38 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.543 2.423 . . . . 25.0 117.543 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.72 -167.31 54.48 Favored Glycine 0 C--O 1.247 0.924 0 O-C-N 121.573 -0.704 . . . . 25.0 114.061 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -70.96 -10.15 27.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 121.091 1.194 . . . . 25.0 113.503 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -63.63 -25.12 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.448 0.642 . . . . 25.0 110.243 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -107.14 -42.28 4.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.0 t -122.81 131.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.7 Cg_endo -77.48 148.79 26.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 115.712 -2.392 . . . . 25.0 112.659 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.46 -21.23 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.945 -0.472 . . . . 25.0 111.722 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 76' ' ' PRO . 13.7 t -70.12 -22.63 62.99 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.542 -0.724 . . . . 25.0 110.985 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.41 87.15 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 119.922 -0.711 . . . . 25.0 109.957 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -72.03 -32.65 67.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.513 0.673 . . . . 25.0 110.897 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.77 -46.68 68.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.2 -40.3 93.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 25.0 110.444 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -58.11 -39.11 77.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.775 0.321 . . . . 25.0 111.231 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -64.74 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.678 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.87 -38.08 79.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.33 0.586 . . . . 25.0 110.073 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.87 -31.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.601 -0.687 . . . . 25.0 109.264 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -58.14 -46.85 84.92 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 122.152 -0.343 . . . . 25.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.95 -41.28 74.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.037 -0.414 . . . . 25.0 111.663 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 70.5 mt -74.09 -40.86 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.87 -35.48 74.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 25.0 110.858 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -111.01 30.88 6.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.103 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -59.75 -26.29 65.56 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -62.91 -35.65 80.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -106.15 7.63 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.267 0.556 . . . . 25.0 111.361 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -125.18 78.53 66.82 Favored Pre-proline 0 N--CA 1.469 0.492 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -66.78 -18.61 53.2 Favored 'Trans proline' 0 C--N 1.346 0.418 0 N-CA-C 114.659 0.984 . . . . 25.0 114.659 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -63.29 -46.39 86.95 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.9 -27.86 6.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.565 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -38.83 85.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.637 -0.664 . . . . 25.0 111.236 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.77 71.18 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.406 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.43 -32.25 58.35 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.992 -0.443 . . . . 25.0 109.819 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.5 -47.68 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.37 90.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.151 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.19 -36.05 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.401 ' HB ' HG13 ' A' ' 51' ' ' ILE . 32.6 m -63.21 -41.78 99.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.06 -41.62 96.96 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.024 -0.423 . . . . 25.0 111.812 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.03 -45.97 91.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.374 0.607 . . . . 25.0 110.534 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.04 -38.08 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.42 -37.1 79.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -69.46 -34.26 74.12 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.617 -0.677 . . . . 25.0 110.615 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.1 t -83.54 -33.05 25.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 115.688 1.736 . . . . 25.0 115.688 -174.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -90.28 170.91 9.87 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.918 2.192 . . . . 25.0 116.918 -166.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.9 m -76.74 91.13 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.326 -1.306 . . . . 25.0 111.897 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -77.83 54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.977 0.417 . . . . 25.0 110.967 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 p -65.84 146.6 54.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 154.93 48.7 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.975 -0.557 . . . . 25.0 109.687 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 mt -129.83 158.28 39.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -1.14 16.32 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.794 0.806 . . . . 25.0 110.746 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 60.9 -170.12 0.16 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -129.11 25.65 5.52 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.439 -0.788 . . . . 25.0 112.403 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -134.41 28.57 3.68 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.166 0.508 . . . . 25.0 112.238 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -76.56 -9.78 58.91 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -125.83 162.49 25.0 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 . . . . . 0 C--N 1.322 -0.609 1 N-CA-C 100.187 -4.005 . . . . 25.0 100.187 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 N-CA-C 112.848 -0.101 . . . . 25.0 112.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -39.37 82.84 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.451 -0.44 . . . . 25.0 111.089 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -75.38 -39.92 58.59 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 122.025 0.916 . . . . 25.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.42 -35.22 73.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.96 -0.563 . . . . 25.0 110.903 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -76.7 -6.96 54.31 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 173.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -99.06 -24.03 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -79.04 103.56 9.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.739 0.304 . . . . 25.0 111.667 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.87 -43.73 6.52 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -74.21 -37.6 63.84 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.473 -0.767 . . . . 25.0 111.773 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.23 -41.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 25.0 110.077 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -45.9 90.9 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.563 0.62 . . . . 25.0 111.567 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -61.67 -41.24 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.186 0.517 . . . . 25.0 110.103 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.45 -23.72 63.71 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -62.14 -39.55 92.96 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -76.02 -42.57 47.56 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.291 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.65 94.46 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.14 -39.69 93.44 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.81 -45.75 67.2 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.2 p -66.87 -22.17 65.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.825 0.345 . . . . 25.0 111.393 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -68.42 -18.99 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.381 -0.372 . . . . 25.0 110.366 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 4.27 84.39 Favored Glycine 0 C--O 1.239 0.444 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.407 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.56 145.44 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 107.032 -1.469 . . . . 25.0 107.032 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -97.48 84.34 3.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -170.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.87 159.54 22.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -104.79 160.16 15.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.83 -40.15 91.69 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.953 -0.299 . . . . 25.0 110.345 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.05 82.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.734 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -78.59 -46.9 18.3 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.695 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.78 -53.68 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 -19.96 66.13 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -59.25 -37.14 76.85 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.405 -0.809 . . . . 25.0 109.982 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -73.73 -23.74 59.81 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 121.342 -0.849 . . . . 25.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.62 -27.15 62.91 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 173.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -71.11 -33.85 70.55 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -67.24 -42.07 84.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.155 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -36.03 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 176.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -39.21 86.01 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.94 -0.475 . . . . 25.0 111.528 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.93 -46.65 20.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -72.87 -29.1 62.92 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.333 0.587 . . . . 25.0 111.611 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.2 m -125.55 78.54 68.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.193 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.18 -16.82 31.68 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.07 0.363 . . . . 25.0 112.669 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -20.0 51.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.315 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -61.92 -53.28 61.41 Favored Pre-proline 0 CA--C 1.543 0.686 0 O-C-N 121.86 -0.525 . . . . 25.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.33 -23.6 23.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 113.78 -3.68 . . . . 25.0 115.136 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.62 -37.27 86.11 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' CD ' HH12 ' A' ' 55' ' ' ARG . 44.0 mt-10 -79.64 -6.78 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.32 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.4 22.22 50.69 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 173.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -130.67 136.98 49.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.767 0.784 . . . . 25.0 110.138 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -124.13 103.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.509 1.147 . . . . 25.0 109.029 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.91 163.24 24.08 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.47 -36.13 75.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -57.13 -37.35 71.88 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.101 0.477 . . . . 25.0 110.492 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.502 HH12 ' CD ' ' A' ' 48' ' ' GLU . 83.6 mtt-85 -79.33 -37.76 36.79 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.866 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -64.69 -30.17 71.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -59.78 -49.88 75.99 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.895 0.855 . . . . 25.0 108.717 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -55.74 -28.64 56.93 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 113.702 -1.59 . . . . 25.0 114.131 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.37 -40.92 87.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.551 0.691 . . . . 25.0 109.396 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.78 -33.47 55.41 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.165 -0.774 . . . . 25.0 111.165 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.88 -39.96 93.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 176.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.6 -43.26 94.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.646 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.16 -39.32 94.32 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -64.96 -45.83 84.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.375 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -67.89 -37.94 82.39 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.559 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.3 -37.4 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -65.18 -38.21 89.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.075 -0.39 . . . . 25.0 110.221 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.44 -32.36 73.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.961 0.41 . . . . 25.0 110.185 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.1 m -76.12 -42.07 48.13 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.51 0.68 6.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 117.533 2.42 . . . . 25.0 117.533 -170.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.61 -177.76 54.23 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 116.331 1.293 . . . . 25.0 116.331 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.92 -8.02 22.68 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.226 2.617 . . . . 25.0 114.944 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.98 -26.99 61.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.063 0.459 . . . . 25.0 111.453 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.39 -38.32 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.798 -0.637 . . . . 25.0 111.414 -171.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.39 131.01 24.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 104.319 -2.474 . . . . 25.0 104.319 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HB2' HG22 ' A' ' 78' ' ' THR . 89.4 Cg_endo -85.86 154.82 10.05 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 115.466 -2.556 . . . . 25.0 112.489 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.31 -23.07 31.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.712 -0.618 . . . . 25.0 111.496 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 76' ' ' PRO . 4.3 t -70.75 -23.01 62.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.665 -0.647 . . . . 25.0 111.318 177.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.57 81.55 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 120.059 -0.656 . . . . 25.0 110.805 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -70.86 -32.34 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 25.0 110.562 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.7 t -68.76 -46.94 67.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.01 -40.87 95.54 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.177 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.75 -39.64 77.85 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.108 -0.37 . . . . 25.0 111.146 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.83 -32.27 72.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.445 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.87 -43.94 97.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.898 0.38 . . . . 25.0 110.149 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.6 mp -77.32 -31.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -56.03 -49.9 72.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.125 -0.359 . . . . 25.0 110.508 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.4 -26.84 62.94 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.275 -0.57 . . . . 25.0 111.287 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.67 -40.52 84.47 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 121.877 -0.514 . . . . 25.0 111.582 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.17 -37.95 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.92 -18.96 65.69 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.01 35.37 3.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.215 0.531 . . . . 25.0 110.582 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.59 -28.73 70.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.3 pm0 -69.0 -19.31 64.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -111.2 7.34 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.469 0.652 . . . . 25.0 109.44 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -128.55 77.83 76.75 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -65.76 -19.77 59.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 116.992 -1.539 . . . . 25.0 114.605 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -69.21 -36.09 76.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.95 -29.51 6.64 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.286 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.807 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.76 -43.41 94.31 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.587 0.63 . . . . 25.0 110.208 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.01 71.12 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.401 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.53 -29.6 59.51 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.58 -48.69 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.6 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -62.37 -38.69 90.55 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.644 -0.422 . . . . 25.0 112.136 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -69.08 -36.6 77.79 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.627 -0.879 . . . . 25.0 108.627 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.26 -39.23 89.58 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.913 -0.492 . . . . 25.0 111.525 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.7 -47.46 72.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.201 0.524 . . . . 25.0 110.573 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.7 mt -64.0 -38.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.023 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.42 -37.95 87.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.898 -0.501 . . . . 25.0 112.025 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -73.21 -23.13 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.6 t -83.12 -20.33 35.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.157 0.503 . . . . 25.0 110.969 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -83.36 167.08 17.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.405 0.621 . . . . 25.0 110.625 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.4 t -142.66 161.77 37.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -126.37 48.68 2.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -107.65 161.2 15.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 55.17 25.4 7.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.202 1.001 . . . . 25.0 113.327 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.53 132.83 45.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 122.22 1.01 . . . . 25.0 110.672 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -154.57 167.16 31.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -139.08 49.32 1.85 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 115.027 1.491 . . . . 25.0 115.027 -173.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -86.78 49.06 1.74 Allowed 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.591 -0.693 . . . . 25.0 111.439 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -152.14 141.65 21.68 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.2 142.33 46.81 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -156.91 101.28 1.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 101.429 -3.545 . . . . 25.0 101.429 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.257 1.461 0 N-CA-C 103.59 -2.744 . . . . 25.0 103.59 -160.117 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.418 0 N-CA-C 111.963 -0.455 . . . . 25.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.23 -41.14 86.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.935 0.368 . . . . 25.0 111.224 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.46 -23.21 50.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.76 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.16 -39.85 82.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.555 -0.716 . . . . 25.0 109.966 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -14.49 63.03 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 172.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.7 -24.89 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.399 0.619 . . . . 25.0 109.864 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.28 91.56 3.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -45.61 -43.38 12.22 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.55 -24.51 64.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.371 0.605 . . . . 25.0 112.332 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -83.62 -41.37 17.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.48 -36.67 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.188 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.2 -42.57 95.39 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -69.04 -41.23 77.94 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.649 -0.657 . . . . 25.0 109.666 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.13 -23.84 66.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.37 -42.58 74.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -84.07 -37.03 22.59 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.987 -0.552 . . . . 25.0 111.697 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.25 85.9 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.89 -38.49 91.16 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -70.01 -39.28 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 p -67.56 -22.82 65.38 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.977 0.808 . . . . 25.0 111.491 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -23.5 64.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 174.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.77 -0.62 70.67 Favored Glycine 0 C--O 1.238 0.393 0 CA-C-N 116.538 -0.301 . . . . 25.0 113.311 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.14 132.58 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -89.39 84.36 6.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.558 -0.747 . . . . 25.0 109.486 -174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.59 156.84 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.638 0.732 . . . . 25.0 109.989 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -86.64 138.05 31.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 25.0 109.364 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -49.5 66.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.779 0.323 . . . . 25.0 111.806 177.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.91 66.64 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.037 -0.528 . . . . 25.0 112.41 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -85.96 -38.55 17.85 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -54.68 18.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.451 -0.499 . . . . 25.0 110.809 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.06 -19.97 63.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -33.82 76.22 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.556 -0.715 . . . . 25.0 109.785 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -75.93 -24.77 55.53 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.734 -0.604 . . . . 25.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.45 -32.08 71.84 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.27 -32.16 60.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.899 -0.501 . . . . 25.0 110.182 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -66.47 -29.64 69.8 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.296 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.58 -50.81 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 173.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -37.96 89.35 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.129 -0.941 . . . . 25.0 109.627 -172.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.36 -47.24 77.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.584 -0.735 . . . . 25.0 112.309 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -82.22 -27.39 32.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.464 0.65 . . . . 25.0 112.291 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.5 78.55 62.3 Favored Pre-proline 0 C--N 1.323 -0.579 0 C-N-CA 122.944 0.498 . . . . 25.0 110.192 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.88 -19.04 40.96 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-O 121.477 0.532 . . . . 25.0 113.319 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -18.8 58.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -68.74 -52.21 18.86 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 121.496 -0.753 . . . . 25.0 112.201 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.93 -23.54 29.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 114.664 -3.091 . . . . 25.0 114.471 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.53 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 25.0 111.504 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.89 -10.6 59.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.58 25.12 34.2 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 117.688 1.835 . . . . 25.0 117.688 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -133.66 136.96 45.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.821 0.811 . . . . 25.0 110.282 -174.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' HB ' HG13 ' A' ' 103' ' ' VAL . 45.1 mm -111.69 111.58 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.965 1.364 . . . . 25.0 110.221 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -155.63 159.62 39.76 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.332 -1.304 . . . . 25.0 110.916 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.18 -29.92 46.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 111.812 0.301 . . . . 25.0 111.812 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -61.81 -33.44 74.13 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -85.29 -38.43 18.85 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.309 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -64.9 -30.7 71.71 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.14 -40.57 96.4 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.228 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -62.82 -25.53 68.3 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.3 t -67.38 -39.77 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.7 63.49 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -61.0 -38.95 87.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.9 -45.88 84.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.846 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.14 -38.96 93.26 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.91 -42.58 89.98 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.956 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -64.96 -45.63 84.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.569 0.699 . . . . 25.0 110.665 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.84 -36.14 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.97 -38.53 88.81 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.122 -0.362 . . . . 25.0 110.79 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.16 -35.24 76.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.096 0.474 . . . . 25.0 109.908 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.4 m -73.56 -43.27 60.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.16 1.31 7.16 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 -169.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.61 178.99 52.1 Favored Glycine 0 C--O 1.243 0.679 0 N-CA-C 117.951 1.94 . . . . 25.0 117.951 172.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.69 -9.64 25.26 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.374 2.716 . . . . 25.0 115.147 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -83.34 -3.99 58.03 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.38 0.609 . . . . 25.0 111.305 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -123.9 -40.02 2.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.4 -0.818 . . . . 25.0 110.841 -171.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.34 131.13 24.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 103.553 -2.758 . . . . 25.0 103.553 164.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.2 155.95 11.07 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 115.425 -2.583 . . . . 25.0 112.714 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -22.68 30.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 121.87 -0.519 . . . . 25.0 111.523 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -70.77 -23.1 62.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.531 -0.731 . . . . 25.0 111.008 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.84 85.55 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 120.021 -0.672 . . . . 25.0 110.247 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -71.14 -31.39 67.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.418 0.627 . . . . 25.0 111.138 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -71.79 -44.72 63.49 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.83 -42.29 95.05 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.555 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -58.47 -39.85 81.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.935 0.398 . . . . 25.0 111.535 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.7 -31.87 73.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 122.416 0.286 . . . . 25.0 111.142 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.93 -40.45 97.67 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.132 0.491 . . . . 25.0 110.028 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.3 -28.37 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.314 -0.555 . . . . 25.0 109.514 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.56 -46.61 86.53 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 122.071 -0.393 . . . . 25.0 110.039 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.26 -27.95 61.86 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.684 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -67.85 -41.12 83.42 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.187 -0.32 . . . . 25.0 111.7 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.2 mt -77.4 -40.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.64 -0.424 . . . . 25.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.58 -36.02 79.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.238 0.542 . . . . 25.0 109.715 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -110.6 37.34 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.763 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -62.52 -22.44 66.29 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 120.907 0.384 . . . . 25.0 110.573 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.61 -34.27 69.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.66 9.25 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.526 0.679 . . . . 25.0 110.532 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -124.85 78.27 65.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -66.75 -19.77 53.03 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 116.881 -1.613 . . . . 25.0 114.654 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -66.32 -41.23 89.96 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -27.92 6.68 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.537 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.195 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 tpt -61.43 -41.69 97.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.978 0.808 . . . . 25.0 110.271 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.76 -25.54 66.54 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.429 -0.794 . . . . 25.0 110.556 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.1 46.5 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 51' ' ' ILE . 54.1 t -60.47 -51.15 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 175.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.245 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.31 -42.43 99.01 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.875 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.7 m -61.92 -41.91 98.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.61 -50.38 73.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.336 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 -176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.67 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.92 -22.34 65.96 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -68.65 -39.84 80.52 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.9 t -83.5 -54.81 4.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.664 . . . . 25.0 111.309 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.0 -157.95 0.1 Allowed 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.564 -1.198 . . . . 25.0 110.976 -171.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 50.36 38.65 18.47 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.916 0.709 . . . . 25.0 112.916 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -81.3 -14.15 57.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.6 m -126.85 149.49 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 104.253 -2.499 . . . . 25.0 104.253 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.61 158.7 21.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.488 0.661 . . . . 25.0 111.285 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.8 mt 53.35 -138.35 1.13 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.714 -1.13 . . . . 25.0 112.961 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 161.01 41.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -142.05 55.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -62.05 2.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 -177.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -170.27 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 166.91 23.86 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -173.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -77.51 -40.74 41.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.821 0.343 . . . . 25.0 110.091 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--O 1.253 1.245 0 N-CA-C 101.127 -3.657 . . . . 25.0 101.127 178.391 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.244 0 CA-C-O 120.971 0.206 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -65.72 -37.98 87.93 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 122.458 -0.437 . . . . 25.0 111.491 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -75.26 -35.88 61.31 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -39.36 90.86 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.77 -0.581 . . . . 25.0 110.289 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -62.36 -32.36 73.14 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 171.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.71 -26.78 55.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.694 0.759 . . . . 25.0 110.236 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 79.74 8.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.31 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.75 -31.91 28.57 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.0 -28.73 70.3 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.383 -0.823 . . . . 25.0 112.936 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CE2' HD22 ' A' ' 15' ' ' LEU . 32.2 t80 -87.5 -36.8 17.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.0 -32.55 47.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 N-CA-C 108.559 -0.904 . . . . 25.0 108.559 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -51.53 -49.05 62.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.169 0.588 . . . . 25.0 111.807 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -79.1 -36.02 41.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.802 0.334 . . . . 25.0 111.318 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 11' ' ' TYR . 24.9 tp -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.745 -0.597 . . . . 25.0 112.251 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -63.78 -39.23 93.76 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -69.04 -43.64 74.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.41 90.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.56 -40.56 95.16 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -66.43 -43.1 86.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -23.17 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.924 0.329 . . . . 25.0 111.383 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -71.05 -24.22 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.74 11.9 84.96 Favored Glycine 0 CA--C 1.511 -0.173 0 N-CA-C 111.381 -0.688 . . . . 25.0 111.381 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -84.56 145.98 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -115.43 84.39 2.09 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -134.76 135.29 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 104.45 -2.426 . . . . 25.0 104.45 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -64.86 146.31 55.06 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -43.88 72.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.527 1.306 . . . . 25.0 114.527 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.84 69.57 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.139 0.495 . . . . 25.0 111.579 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.31 -40.23 37.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.42 -55.39 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.452 0.644 . . . . 25.0 109.385 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.36 -19.85 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -65.31 -32.29 73.86 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.904 -1.123 . . . . 25.0 110.127 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -74.03 -23.85 59.47 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.339 -0.851 . . . . 25.0 110.984 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -71.46 -30.94 66.59 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.8 -33.11 71.92 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.6 -0.687 . . . . 25.0 109.926 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -64.17 -31.67 72.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 25.0 110.687 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.08 -48.94 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.237 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -61.51 -40.74 95.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.34 -0.846 . . . . 25.0 110.49 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -47.5 44.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.554 0.692 . . . . 25.0 111.072 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.4 m -124.73 80.16 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.203 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.47 -17.72 34.15 Favored 'Trans proline' 0 C--N 1.346 0.398 0 CA-C-O 121.725 0.635 . . . . 25.0 111.647 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -16.4 56.9 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.397 -0.819 . . . . 25.0 111.839 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.62 -50.62 35.04 Favored Pre-proline 0 CA--C 1.541 0.62 0 O-C-N 120.885 -1.134 . . . . 25.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.9 -21.73 37.25 Favored 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 113.162 -4.092 . . . . 25.0 112.91 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -68.02 -36.15 79.46 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.474 0.31 . . . . 25.0 111.374 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.72 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.48 15.52 39.7 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 115.13 0.812 . . . . 25.0 115.13 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -133.51 135.66 44.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -124.0 102.77 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.723 1.249 . . . . 25.0 110.092 -172.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -140.44 162.93 34.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.87 -27.53 42.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -62.56 -42.7 99.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.725 -0.609 . . . . 25.0 110.722 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -83.01 -29.5 28.85 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.998 0.428 . . . . 25.0 110.341 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -65.62 -32.86 74.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.865 0.364 . . . . 25.0 110.204 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.81 -39.97 95.94 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 119.098 -0.477 . . . . 25.0 111.404 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -56.12 -32.28 64.08 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.31 -42.77 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.332 0.587 . . . . 25.0 110.609 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.7 -34.15 59.89 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.418 -0.896 . . . . 25.0 111.481 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -40.07 95.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.6 -44.7 93.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.518 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -62.34 -36.5 82.41 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.716 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.54 -43.11 81.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 25.0 110.415 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -36.63 84.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.747 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -68.11 -38.44 82.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.34 . . . . 25.0 110.602 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.61 -38.58 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.988 0.423 . . . . 25.0 110.581 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -76.91 -42.23 40.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.975 0.732 . . . . 25.0 112.975 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -112.84 -4.22 14.03 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.714 1.376 . . . . 25.0 114.714 -172.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.33 177.64 51.89 Favored Glycine 0 C--O 1.243 0.664 0 N-CA-C 115.114 0.806 . . . . 25.0 115.114 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.88 -5.28 16.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.889 2.393 . . . . 25.0 113.82 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.3 -25.69 60.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.271 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -107.76 -33.45 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.103 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.84 130.88 24.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 105.486 -2.042 . . . . 25.0 105.486 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -81.29 155.14 19.08 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 115.765 -2.357 . . . . 25.0 111.423 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.38 -20.73 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 121.664 -0.647 . . . . 25.0 110.659 176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -75.27 -17.75 60.24 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.751 -0.593 . . . . 25.0 111.409 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.55 79.41 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.689 -0.632 . . . . 25.0 109.553 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -71.67 -30.06 65.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.127 0.489 . . . . 25.0 111.289 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -72.62 -44.55 61.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -62.87 -41.73 99.5 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.776 -0.647 . . . . 25.0 109.737 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.64 -38.96 86.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.977 0.417 . . . . 25.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 6.4 m-80 -65.28 -29.44 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.497 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.3 -43.54 94.42 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.52 -30.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.397 -0.815 . . . . 25.0 108.968 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 2.8 tttp -58.14 -43.74 87.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 118.705 -0.664 . . . . 25.0 110.031 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.55 -28.87 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.319 0.963 . . . . 25.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.41 -41.88 93.12 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.332 -0.248 . . . . 25.0 110.332 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.6 mt -78.75 -42.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.77 -36.83 72.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.078 0.551 . . . . 25.0 109.832 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -117.05 34.69 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.522 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -64.74 -22.73 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.561 0.695 . . . . 25.0 109.754 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.83 -29.52 66.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.9 m -117.31 9.72 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.372 0.606 . . . . 25.0 110.748 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -125.58 81.15 65.18 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.17 -24.25 59.17 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 116.953 -1.565 . . . . 25.0 115.334 -174.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.01 -39.26 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.83 -27.77 6.7 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 C-N-CA 120.029 -0.668 . . . . 25.0 110.629 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.31 75.18 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.51 -30.68 63.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.63 -47.99 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.31 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.232 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.52 -38.28 90.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.3 m -67.48 -38.93 85.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -62.13 -42.14 98.95 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.104 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.47 -43.96 93.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.964 0.411 . . . . 25.0 110.442 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.11 -42.87 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.895 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -38.67 90.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.935 0.397 . . . . 25.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -66.64 -33.84 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -74.12 -29.64 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.666 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -67.44 -30.9 70.76 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 t 60.11 -166.05 0.2 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 122.336 1.065 . . . . 25.0 111.753 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -126.98 20.43 6.97 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.153 -1.385 . . . . 25.0 109.289 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -76.54 159.8 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.422 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.12 39.71 27.17 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.73 142.59 55.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.12 0.962 . . . . 25.0 112.483 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -106.62 -159.66 0.71 Allowed 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.913 -1.04 . . . . 25.0 111.101 -176.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.02 -42.25 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.722 2.119 . . . . 25.0 116.722 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -66.02 91.45 0.15 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.831 1.049 . . . . 25.0 113.831 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -60.11 142.04 54.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.308 0.575 . . . . 25.0 111.487 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -156.64 157.96 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.784 -2.302 . . . . 25.0 104.784 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -77.08 86.59 3.57 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 27.3 t60 . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 114.879 -2.486 . . . . 25.0 107.236 -169.076 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.269 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.84 -36.74 84.32 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.466 -0.432 . . . . 25.0 111.866 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -76.66 -29.36 56.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.095 -0.378 . . . . 25.0 110.187 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.94 -33.55 76.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.825 -0.547 . . . . 25.0 111.47 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -74.19 -3.83 32.19 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.964 0.727 . . . . 25.0 112.964 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -116.56 -13.29 10.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.219 0.533 . . . . 25.0 110.36 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -78.34 98.4 5.95 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -46.81 -43.21 18.23 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -65.49 -33.57 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.191 0.812 . . . . 25.0 113.191 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -72.87 -42.32 63.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.98 -31.02 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.94 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -60.31 -52.39 65.46 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.66 -0.65 . . . . 25.0 111.263 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -69.39 -42.25 75.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.572 0.701 . . . . 25.0 111.468 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.81 -23.4 66.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -36.34 60.34 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.36 -47.75 11.95 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.141 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.35 70.42 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.141 1.163 . . . . 25.0 114.141 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.92 -39.79 90.73 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.02 -36.21 23.3 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.955 1.465 . . . . 25.0 114.955 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.5 p -66.34 -19.49 65.82 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -73.31 -17.15 61.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.994 0.426 . . . . 25.0 110.535 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.43 -4.54 72.3 Favored Glycine 0 C--O 1.238 0.37 0 CA-C-O 121.199 0.333 . . . . 25.0 113.003 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -89.37 130.88 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -88.65 84.29 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 m -131.41 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 110.607 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -90.82 161.43 15.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.95 -37.59 74.41 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 122.19 -0.319 . . . . 25.0 110.462 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.21 86.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 25.0 109.999 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.47 -40.51 80.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.2 tp -75.93 -54.27 7.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.14 0.792 . . . . 25.0 113.14 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.54 -20.02 66.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.62 -40.63 65.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.112 0.482 . . . . 25.0 110.076 171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.71 -23.86 42.07 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.082 0.401 . . . . 25.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.08 -31.24 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.39 -21.21 39.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.98 0.419 . . . . 25.0 111.484 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.34 -26.92 65.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.182 0.515 . . . . 25.0 109.984 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.15 -45.4 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.09 -42.26 99.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.823 -1.08 . . . . 25.0 112.417 -168.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.87 -36.88 64.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 25.0 112.04 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 m -79.09 -37.23 39.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.526 0.679 . . . . 25.0 110.65 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.2 79.08 59.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.534 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.72 -14.89 30.23 Favored 'Trans proline' 0 C--N 1.344 0.316 0 CA-C-O 121.732 0.638 . . . . 25.0 111.926 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -14.66 47.92 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.635 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.66 -49.7 38.6 Favored Pre-proline 0 CA--C 1.536 0.438 0 O-C-N 121.104 -0.997 . . . . 25.0 112.082 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.7 -20.09 40.71 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 112.951 -4.233 . . . . 25.0 113.146 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.13 -26.88 65.11 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.68 0.392 . . . . 25.0 111.501 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.22 -19.26 63.16 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.103 -0.373 . . . . 25.0 110.162 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.21 15.74 38.75 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 116.316 1.286 . . . . 25.0 116.316 174.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 m -134.73 135.39 41.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.6 0.7 . . . . 25.0 110.231 -174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG13 ' HB ' ' A' ' 106' ' ' THR . 49.3 mm -107.76 111.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.673 1.225 . . . . 25.0 108.724 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -151.71 154.76 36.94 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.5 tp -68.58 -29.82 45.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.68 -0.691 . . . . 25.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -65.83 -34.17 77.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -83.54 -37.25 23.26 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.208 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -64.07 -30.33 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.707 0.289 . . . . 25.0 111.429 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.92 -42.24 97.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.28 -0.263 . . . . 25.0 110.418 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -55.95 -31.3 62.84 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.27 -40.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 25.0 109.537 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.43 -35.2 59.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -43.71 92.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.45 178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -62.41 -39.16 92.38 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.09 -39.63 82.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.684 0.278 . . . . 25.0 110.977 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -62.99 -47.46 83.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.77 0.795 . . . . 25.0 109.285 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -37.23 86.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.747 -0.661 . . . . 25.0 110.051 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -67.55 -36.41 80.91 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.27 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.428 -0.795 . . . . 25.0 110.186 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -69.61 -41.97 75.01 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.24 2.44 8.51 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.898 1.814 . . . . 25.0 115.898 -172.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.4 -175.27 54.84 Favored Glycine 0 C--O 1.242 0.623 0 C-N-CA 120.539 -0.839 . . . . 25.0 114.87 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.08 -5.5 17.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 121.862 1.708 . . . . 25.0 114.748 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.44 -6.4 53.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.582 . . . . 25.0 112.538 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -117.47 -36.11 3.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.763 -0.653 . . . . 25.0 112.6 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.39 130.89 24.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.53 158.32 14.46 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 117.152 -1.432 . . . . 25.0 112.137 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.28 -23.33 32.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 121.708 -0.62 . . . . 25.0 111.426 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -72.3 -21.23 61.37 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.53 -0.731 . . . . 25.0 111.231 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.21 86.85 Favored 'General case' 0 C--O 1.218 -0.583 0 C-N-CA 119.684 -0.806 . . . . 25.0 109.015 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -71.67 -32.1 67.5 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.011 0.434 . . . . 25.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.1 t -69.21 -46.98 66.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.77 -44.43 96.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -59.51 -40.48 87.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.45 -31.39 72.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 25.0 110.819 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.587 0.708 . . . . 25.0 109.745 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.72 -30.67 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.5 -46.13 89.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.89 -0.506 . . . . 25.0 110.004 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.2 -26.76 60.45 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.853 -0.739 . . . . 25.0 110.54 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.46 -40.89 89.63 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.043 -0.411 . . . . 25.0 111.437 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.9 mt -75.75 -41.72 40.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.27 -35.69 77.99 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.112 0.482 . . . . 25.0 109.862 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 44.1 mmtt -112.15 38.9 2.56 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.474 0.654 . . . . 25.0 112.481 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -62.99 -21.59 66.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.288 -0.869 . . . . 25.0 109.721 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.89 0.876 . . . . 25.0 113.244 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -114.19 9.07 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.657 0.741 . . . . 25.0 110.346 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -123.87 78.76 57.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.285 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.39 -17.79 54.22 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 116.746 -1.703 . . . . 25.0 113.141 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.8 -44.57 92.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.88 -25.22 6.97 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.18 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.575 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.48 -38.74 88.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.861 -0.524 . . . . 25.0 110.268 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.29 68.33 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.862 -0.524 . . . . 25.0 110.573 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.81 -29.98 50.94 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.58 -49.83 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.24 86.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.845 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.7 -35.62 81.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.4 m -63.34 -40.75 98.17 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.22 -40.27 95.56 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.211 -0.596 . . . . 25.0 112.091 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.45 -45.65 91.0 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 25.0 109.843 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.43 -41.11 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.459 -0.791 . . . . 25.0 109.735 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.69 -38.97 90.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.088 -0.383 . . . . 25.0 111.813 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -72.71 -20.88 61.13 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.646 0.26 . . . . 25.0 111.685 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 t -83.42 -16.35 46.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.539 0.685 . . . . 25.0 109.844 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -103.55 -163.64 1.0 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.0 p 58.63 2.29 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 117.658 2.466 . . . . 25.0 117.658 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -75.98 3.47 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.083 0.772 . . . . 25.0 113.083 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.9 p -101.52 119.84 39.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 110.751 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -81.79 131.0 35.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.304 -0.999 . . . . 25.0 108.304 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -157.72 159.29 36.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.61 84.11 4.74 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.83 0.824 . . . . 25.0 109.479 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -73.02 77.71 1.19 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -143.4 134.82 26.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.08 -0.964 . . . . 25.0 108.88 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.44 134.29 54.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.231 -0.285 . . . . 25.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -149.08 93.09 2.04 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 57.46 18.32 4.42 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.607 0.718 . . . . 25.0 111.917 -176.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 CA--C 1.507 -0.691 1 N-CA-C 98.668 -4.567 . . . . 25.0 98.668 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.33 0 N-CA-C 111.126 -0.789 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.79 -35.66 81.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.032 0.444 . . . . 25.0 110.722 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.37 -40.95 81.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.318 0.58 . . . . 25.0 109.896 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.9 -37.07 86.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.3 65.26 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -89.35 -20.85 23.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.152 0.501 . . . . 25.0 110.77 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 90.0 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -50.37 -36.34 32.07 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.065 1.506 . . . . 25.0 115.065 -175.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -65.38 -29.94 70.71 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.449 -0.782 . . . . 25.0 111.645 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -79.55 -40.45 29.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 25.0 109.18 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.38 -39.83 70.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.093 -0.958 . . . . 25.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -57.3 -45.75 83.84 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.007 0.821 . . . . 25.0 112.634 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -66.96 -37.83 85.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 25.0 109.635 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -29.05 68.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.713 0.635 . . . . 25.0 112.713 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -59.99 -41.8 92.84 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.98 -45.18 59.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.355 -0.838 . . . . 25.0 110.082 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.92 99.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -40.43 96.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.68 -41.46 75.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 p -65.65 -23.62 66.84 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -73.18 -20.67 60.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.052 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.23 23.99 69.77 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 121.027 -0.606 . . . . 25.0 113.495 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.66 142.27 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.442 0.639 . . . . 25.0 109.914 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -81.23 84.44 6.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.785 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.17 128.62 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.13 140.57 48.91 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -49.07 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.34 72.57 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.373 -0.376 . . . . 25.0 111.309 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.73 58.35 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 121.185 -0.206 . . . . 25.0 111.113 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.99 -53.06 19.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.53 0.681 . . . . 25.0 109.419 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.56 -20.35 66.29 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -59.44 -40.21 86.06 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.883 -0.511 . . . . 25.0 109.889 173.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -76.51 -23.82 53.73 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.694 -0.629 . . . . 25.0 111.827 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.79 -30.28 68.82 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.123 -1.066 . . . . 25.0 108.123 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.76 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.127 -0.358 . . . . 25.0 110.067 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.87 -30.67 71.31 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.721 0.296 . . . . 25.0 110.69 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -64.42 -36.95 85.83 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.687 -0.688 . . . . 25.0 109.595 -173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.07 -57.44 7.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 -26.17 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.554 0.692 . . . . 25.0 112.176 -175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.6 m -127.84 77.34 76.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.44 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.62 -16.02 33.91 Favored 'Trans proline' 0 C--N 1.346 0.422 0 CA-C-O 121.608 0.587 . . . . 25.0 112.384 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -14.09 59.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 25.0 112.041 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -66.72 -52.32 34.53 Favored Pre-proline 0 CA--C 1.543 0.69 0 O-C-N 121.411 -0.805 . . . . 25.0 111.487 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -21.06 37.67 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.608 -3.795 . . . . 25.0 113.837 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -65.81 -37.56 86.59 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.172 0.189 . . . . 25.0 111.14 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.964 0.411 . . . . 25.0 109.95 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 17.44 49.17 Favored Glycine 0 C--O 1.227 -0.281 0 CA-C-N 116.102 -0.499 . . . . 25.0 113.848 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 m -126.86 122.35 34.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -117.66 102.53 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.738 1.256 . . . . 25.0 109.774 -171.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -141.61 165.59 27.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.74 -28.26 44.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.512 0.196 . . . . 25.0 110.717 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.92 -37.69 88.32 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.949 -0.469 . . . . 25.0 110.687 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.53 -39.84 44.66 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.874 0.368 . . . . 25.0 110.23 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -64.02 -31.7 72.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.967 0.413 . . . . 25.0 112.106 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.77 -41.82 98.19 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.292 -0.385 . . . . 25.0 110.644 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -57.32 -32.92 67.18 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.264 0.468 . . . . 25.0 112.264 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.54 -40.82 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.471 0.653 . . . . 25.0 109.755 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.06 53.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.431 -0.89 . . . . 25.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.89 -39.93 95.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.378 -1.341 . . . . 25.0 107.378 176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.42 -46.43 88.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.272 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.5 -39.28 92.99 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -66.24 -44.48 83.61 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.457 -0.097 . . . . 25.0 111.126 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.22 -47.84 80.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.84 -32.27 73.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.769 0.318 . . . . 25.0 111.385 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -67.77 -48.32 66.69 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.733 -0.212 . . . . 25.0 111.069 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.37 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.172 0.511 . . . . 25.0 112.339 -173.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.2 m -56.35 -38.26 71.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.317 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -127.22 -48.11 1.46 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.77 -170.2 24.08 Favored Glycine 0 C--O 1.246 0.86 0 N-CA-C 109.82 -1.312 . . . . 25.0 109.82 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.82 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.757 1.638 . . . . 25.0 114.45 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -70.73 -28.67 64.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -89.32 -39.73 13.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.28 130.87 22.73 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 106.65 -1.611 . . . . 25.0 106.65 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 78' ' ' THR . 72.4 Cg_endo -75.53 147.46 32.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 115.208 -2.728 . . . . 25.0 112.912 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.57 -22.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 121.954 -0.466 . . . . 25.0 111.759 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 76' ' ' PRO . 3.5 t -70.04 -23.28 63.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.548 -0.72 . . . . 25.0 111.17 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.17 86.66 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 119.763 -0.775 . . . . 25.0 109.892 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -70.97 -32.95 69.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.343 0.592 . . . . 25.0 110.705 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -66.89 -46.15 75.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.97 -40.41 91.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.912 -0.586 . . . . 25.0 110.663 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.76 -37.15 75.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.772 0.32 . . . . 25.0 110.938 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -67.96 -24.38 65.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 tt -70.32 -45.19 66.7 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.69 -29.1 25.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.603 0.716 . . . . 25.0 109.663 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -56.27 -52.13 65.63 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.467 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.21 -30.55 69.65 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.573 0.624 . . . . 25.0 111.238 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.49 -45.31 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 25.0 111.682 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.6 mt -80.31 -39.78 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.634 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.31 -32.33 68.37 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.485 0.314 . . . . 25.0 111.842 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -124.46 35.57 4.78 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.617 0.722 . . . . 25.0 111.886 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -57.77 -34.85 70.01 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.463 -0.789 . . . . 25.0 111.621 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.56 -17.93 64.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.38 9.56 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.327 0.584 . . . . 25.0 110.019 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -134.72 85.69 35.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.229 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.69 -20.25 46.77 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.22 -1.386 . . . . 25.0 114.744 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -65.57 -43.24 90.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 m -84.91 -28.39 6.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.793 -0.639 . . . . 25.0 110.622 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -37.41 87.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 25.0 110.237 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.0 -33.0 73.53 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.833 0.349 . . . . 25.0 110.191 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.36 -32.65 55.17 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 110.166 -0.309 . . . . 25.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.27 -48.35 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.68 95.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.946 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.24 -37.76 88.51 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.536 -0.465 . . . . 25.0 111.882 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.4 m -63.66 -42.63 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -60.7 -45.06 95.66 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.384 -0.526 . . . . 25.0 110.241 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -65.81 -38.95 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.25 -43.04 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.32 -42.49 92.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.352 . . . . 25.0 110.08 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -67.23 -26.94 66.84 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -84.48 -19.13 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.93 153.42 30.45 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 -167.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.3 p -90.1 2.05 55.69 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.097 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -97.32 19.51 13.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 m -127.71 147.71 50.4 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.54 138.82 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.84 0.352 . . . . 25.0 111.853 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 120' ' ' HIS . 3.9 mt 58.61 119.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 116.502 2.038 . . . . 25.0 116.502 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.44 -41.24 85.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.76 -1.109 . . . . 25.0 113.507 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 47.2 m80 57.22 -154.9 0.34 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -140.32 71.16 1.37 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.166 -0.959 . . . . 25.0 110.483 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.67 170.44 13.27 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.927 -0.579 . . . . 25.0 110.795 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -117.9 -44.84 2.7 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.108 0.255 . . . . 25.0 110.434 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -141.03 159.7 41.65 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.242 0.704 0 O-C-N 125.089 1.493 . . . . 25.0 113.026 179.224 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.25 0 N-CA-C 111.784 -0.526 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -67.84 -28.41 67.53 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.422 -0.458 . . . . 25.0 112.045 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -73.91 -46.37 44.85 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -53.81 -35.33 61.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 -17.65 61.85 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -101.32 -17.91 16.32 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.54 0.686 . . . . 25.0 110.665 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -76.3 81.75 3.06 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -49.31 -32.41 11.0 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 115.921 1.822 . . . . 25.0 115.921 -170.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -30.75 71.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.364 -0.835 . . . . 25.0 111.905 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -78.21 -44.21 26.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.92 -32.01 51.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-N 114.74 -1.118 . . . . 25.0 111.298 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.98 -46.3 71.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.86 0.755 . . . . 25.0 111.375 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -77.85 -39.69 42.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.384 0.611 . . . . 25.0 110.686 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.51 -24.84 66.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -64.76 -37.02 86.2 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.42 -38.24 35.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.804 -0.634 . . . . 25.0 109.58 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.14 86.45 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.9 -41.49 96.17 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.75 -49.26 71.48 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.908 -0.587 . . . . 25.0 112.477 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -73.15 -19.54 61.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.116 -0.365 . . . . 25.0 111.863 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.474 HH11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -74.59 -24.37 58.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.389 -0.596 . . . . 25.0 109.389 175.465 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.08 10.85 85.92 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 111.693 -0.563 . . . . 25.0 111.693 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.79 114.62 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 122.203 1.001 . . . . 25.0 109.046 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -86.21 84.42 7.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.866 -175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.61 158.7 37.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.681 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -77.77 148.59 34.74 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 104.601 -2.37 . . . . 25.0 104.601 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -43.78 84.18 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.771 -0.58 . . . . 25.0 111.692 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.97 74.07 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.127 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -73.2 -45.67 54.93 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.71 -51.55 67.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.819 0.818 . . . . 25.0 110.137 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.95 -19.89 65.8 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -62.46 -30.71 71.44 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.099 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -76.05 -23.79 55.12 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.271 -0.893 . . . . 25.0 111.543 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -73.99 -17.73 60.96 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.94 -35.13 22.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.466 0.651 . . . . 25.0 109.915 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -64.34 -36.89 85.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -35.14 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 122.232 -0.293 . . . . 25.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.44 -39.84 88.95 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.7 -40.89 72.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.108 0.48 . . . . 25.0 111.424 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -73.97 -33.03 63.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.639 0.733 . . . . 25.0 110.123 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.03 76.17 40.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.39 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.45 -11.17 29.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.273 -0.685 . . . . 25.0 112.106 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 -10.82 48.35 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.345 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.2 -48.16 77.28 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 121.443 -0.786 . . . . 25.0 112.026 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.24 -17.71 39.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 113.74 -3.706 . . . . 25.0 113.802 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -71.74 -32.31 67.6 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.09 -25.72 63.65 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.1 13.2 19.19 Favored Glycine 0 C--O 1.223 -0.575 0 N-CA-C 116.769 1.468 . . . . 25.0 116.769 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.727 ' HB ' ' HE ' ' A' ' 55' ' ' ARG . 34.2 m -132.3 136.75 47.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.494 0.647 . . . . 25.0 109.789 -171.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.411 HG13 ' HB ' ' A' ' 106' ' ' THR . 48.5 mm -105.65 111.74 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.713 1.244 . . . . 25.0 108.73 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -149.88 162.64 39.93 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.19 -29.68 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 116.165 -0.471 . . . . 25.0 110.634 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -65.18 -39.1 92.45 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.509 -0.745 . . . . 25.0 109.708 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.727 ' HE ' ' HB ' ' A' ' 50' ' ' THR . 1.9 mpt_? -70.79 -40.85 72.31 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.173 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -70.33 -32.48 70.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -64.97 -40.6 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.673 -0.642 . . . . 25.0 109.61 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -56.53 -28.39 59.85 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.27 -39.47 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.398 0.618 . . . . 25.0 109.538 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -36.41 77.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.786 -0.926 . . . . 25.0 110.786 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.69 -40.39 96.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.77 95.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.893 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.93 -41.7 98.26 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -67.06 -38.69 86.24 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.999 -0.28 . . . . 25.0 111.009 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.66 -44.52 93.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.895 0.855 . . . . 25.0 110.883 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -31.52 69.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.681 -0.691 . . . . 25.0 109.882 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -68.14 -41.35 81.76 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.804 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -66.28 -28.73 68.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.85 -0.531 . . . . 25.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.1 m -72.34 -36.78 68.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.25 -13.29 5.6 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.87 1.804 . . . . 25.0 115.87 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.04 -169.31 32.05 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 111.184 -0.766 . . . . 25.0 111.184 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.33 -3.64 13.36 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.624 1.55 . . . . 25.0 115.488 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.29 -22.17 63.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.135 -0.353 . . . . 25.0 110.937 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -101.28 -38.46 8.06 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 114.206 1.187 . . . . 25.0 114.206 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.63 130.95 23.61 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.3 157.84 17.24 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 116.306 -1.996 . . . . 25.0 111.841 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.68 -23.09 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.867 -0.521 . . . . 25.0 111.394 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -71.1 -23.78 62.17 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.654 -0.654 . . . . 25.0 111.319 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.75 84.44 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.859 -0.736 . . . . 25.0 109.953 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.24 -31.11 67.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.425 0.631 . . . . 25.0 110.261 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -70.43 -47.88 58.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.15 -40.14 96.71 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.009 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -58.35 -39.45 79.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.689 0.28 . . . . 25.0 111.006 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.14 -28.59 68.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.533 -0.303 . . . . 25.0 111.67 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HH11 ' A' ' 22' ' ' ARG . 2.6 tt -66.93 -40.32 87.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.185 0.517 . . . . 25.0 110.305 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.36 -30.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.358 0.599 . . . . 25.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.9 -52.5 64.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.077 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.18 -28.37 67.22 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.288 -0.565 . . . . 25.0 111.054 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.14 -39.88 93.63 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.098 -0.376 . . . . 25.0 111.208 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.2 mt -77.69 -40.81 28.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -35.3 73.02 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.365 0.602 . . . . 25.0 109.407 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -113.13 34.46 4.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 25.0 112.112 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -66.0 -19.61 65.92 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.15 0.5 . . . . 25.0 110.318 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.7 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.795 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.91 8.55 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.527 0.68 . . . . 25.0 110.196 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -124.46 79.88 60.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -66.33 -19.64 55.71 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.509 -1.194 . . . . 25.0 114.523 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -65.26 -46.59 79.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 p -79.76 -28.21 12.69 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.306 0 C-N-CA 119.878 -0.729 . . . . 25.0 110.059 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.6 tpt -60.54 -39.41 87.81 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.663 0.665 . . . . 25.0 110.721 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.52 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.312 -0.868 . . . . 25.0 110.645 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 -30.49 46.06 Favored 'General case' 0 C--O 1.212 -0.892 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -47.48 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.93 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.53 -37.1 84.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' HG13 ' A' ' 51' ' ' ILE . 30.7 m -61.06 -42.61 98.81 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.65 -38.57 78.41 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.7 -44.52 93.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.771 0.795 . . . . 25.0 109.403 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.76 -34.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 25.0 109.996 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.31 -35.94 80.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.961 -0.462 . . . . 25.0 111.367 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -73.71 -26.21 60.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.547 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -83.52 -12.21 56.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.544 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.33 153.6 20.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.49 -0.777 . . . . 25.0 110.547 -176.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 t 69.05 157.36 0.15 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.449 1.1 . . . . 25.0 112.338 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -118.51 38.3 3.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.154 -2.165 . . . . 25.0 105.154 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.7 p 52.58 26.47 4.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 123.277 1.513 . . . . 25.0 113.846 -173.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -80.4 50.75 1.32 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 112.131 -2.304 . . . . 25.0 109.652 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.2 mt -67.54 130.14 42.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.338 1.066 . . . . 25.0 109.32 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.06 166.92 21.62 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.122 -1.399 . . . . 25.0 110.872 -170.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.48 107.08 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.246 0.546 . . . . 25.0 110.629 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -120.72 149.95 41.72 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.233 -0.44 . . . . 25.0 112.113 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 49.07 39.13 14.32 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -124.14 150.99 44.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -140.03 -78.93 0.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 p80 . . . . . 0 C--O 1.24 0.589 0 N-CA-C 101.48 -3.526 . . . . 25.0 101.48 160.735 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.207 0 N-CA-C 110.182 -1.167 . . . . 25.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.17 -35.6 80.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.331 -0.511 . . . . 25.0 110.248 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -33.99 74.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.97 -37.19 85.36 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 25.0 109.978 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -71.61 -17.01 62.3 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 175.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -95.73 -21.29 18.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 25.0 109.888 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -82.24 100.77 10.08 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.26 -40.61 64.77 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -173.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -40.84 93.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.989 0.423 . . . . 25.0 111.735 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.34 -45.03 61.69 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.88 -41.43 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.128 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.28 -43.14 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.126 0.417 . . . . 25.0 112.126 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -37.93 57.81 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -23.49 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.63 -40.54 72.29 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.76 -34.58 30.34 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.353 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.87 96.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.34 -41.15 98.85 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -68.5 -42.4 78.65 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 t -69.79 -15.88 63.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.752 0.31 . . . . 25.0 111.463 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -21.52 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.277 -0.264 . . . . 25.0 110.764 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -2.86 71.17 Favored Glycine 0 C--O 1.235 0.217 0 CA-C-O 121.399 0.444 . . . . 25.0 112.263 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.01 124.53 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -85.85 84.4 7.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.87 148.91 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.175 0.512 . . . . 25.0 109.981 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.31 136.85 44.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -48.75 72.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 25.0 111.52 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.7 -37.12 75.39 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.045 -0.525 . . . . 25.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.35 -40.87 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.281 -0.168 . . . . 25.0 110.754 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.46 -52.77 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.429 0.633 . . . . 25.0 109.551 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.71 -22.59 66.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -30.25 71.36 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.893 -0.504 . . . . 25.0 110.566 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.65 -27.06 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.77 -0.581 . . . . 25.0 111.556 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -73.68 -27.75 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.222 -0.591 . . . . 25.0 110.143 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.25 -21.44 56.35 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.854 0.359 . . . . 25.0 110.35 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.62 -37.4 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.714 0.292 . . . . 25.0 110.877 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -26.77 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.934 -0.479 . . . . 25.0 110.336 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.68 -39.44 91.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.588 . . . . 25.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.44 -52.37 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.226 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -73.09 -25.85 61.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.56 76.16 78.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.0 -14.64 32.29 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 CA-C-O 121.684 0.618 . . . . 25.0 112.295 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -13.02 54.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.059 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -65.65 -51.15 51.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 121.569 -0.707 . . . . 25.0 111.374 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -70.38 -20.67 31.6 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 113.962 -3.559 . . . . 25.0 113.784 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -66.14 -43.54 86.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.93 -37.12 85.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.52 33.23 75.76 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.78 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.41 ' HB ' HH11 ' A' ' 55' ' ' ARG . 88.2 m -129.5 132.14 46.82 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 -176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.434 HG13 ' HB ' ' A' ' 106' ' ' THR . 47.1 mm -111.24 107.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 123.218 1.485 . . . . 25.0 110.655 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -155.1 164.49 38.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.529 -1.669 . . . . 25.0 108.033 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.25 -28.63 44.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.479 -0.328 . . . . 25.0 110.464 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.24 -38.4 86.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.05 0.452 . . . . 25.0 109.891 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.0 OUTLIER -78.0 -41.15 36.81 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.004 -0.544 . . . . 25.0 110.207 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -64.77 -31.05 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -62.63 -41.67 99.16 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.027 -0.421 . . . . 25.0 111.459 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -56.69 -31.36 64.39 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -39.42 82.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.484 0.659 . . . . 25.0 109.662 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.53 -35.83 62.77 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.466 -0.873 . . . . 25.0 110.959 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -62.63 -39.41 93.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -45.0 92.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 25.0 111.635 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -64.04 -37.63 88.15 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.306 -0.558 . . . . 25.0 109.731 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -64.31 -42.4 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.511 0.196 . . . . 25.0 110.668 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.55 -47.57 75.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.879 0.847 . . . . 25.0 110.31 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -37.3 80.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.016 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.66 -39.6 73.51 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.421 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -32.95 70.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.261 -0.899 . . . . 25.0 110.189 -177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 m -66.19 -41.21 90.52 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -125.75 1.9 7.46 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.427 2.01 . . . . 25.0 116.427 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.29 -173.76 55.13 Favored Glycine 0 C--O 1.244 0.725 0 O-C-N 121.721 -0.612 . . . . 25.0 114.472 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.09 -9.69 26.05 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.777 1.652 . . . . 25.0 113.736 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.76 -19.63 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 25.0 110.41 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -106.84 -44.48 4.42 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.48 130.87 24.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.988 -1.856 . . . . 25.0 105.988 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HB2' HG22 ' A' ' 78' ' ' THR . 92.8 Cg_endo -82.05 152.05 16.37 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 115.055 -2.83 . . . . 25.0 112.831 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.35 -20.75 27.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 121.856 -0.527 . . . . 25.0 111.443 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 76' ' ' PRO . 11.0 t -70.97 -23.58 62.24 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.533 -0.73 . . . . 25.0 111.061 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.06 86.34 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 119.865 -0.734 . . . . 25.0 109.309 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.91 -32.94 67.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 25.0 110.68 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -46.3 73.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.415 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.2 m-85 -64.61 -43.5 93.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.891 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -56.57 -38.29 71.76 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.237 -0.289 . . . . 25.0 111.033 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -69.2 -32.01 70.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.854 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.56 -41.92 98.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 82' ' ' TYR . 4.1 mp -79.77 -30.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 121.879 -0.513 . . . . 25.0 110.047 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -56.07 -49.92 72.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.881 -0.512 . . . . 25.0 109.973 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.98 -28.47 64.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.15 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.88 -43.46 88.26 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.173 -0.329 . . . . 25.0 110.967 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -75.91 -39.3 37.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 120.851 0.358 . . . . 25.0 110.3 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.06 -35.7 79.4 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.82 38.9 2.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.418 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -59.3 -24.28 63.15 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.008 0.432 . . . . 25.0 111.682 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.89 -42.37 84.5 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.747 0.819 . . . . 25.0 112.824 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.3 9.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.351 0.596 . . . . 25.0 110.784 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -124.6 77.87 63.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -66.92 -18.17 52.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.17 -1.42 . . . . 25.0 114.509 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -67.59 -48.5 66.66 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -26.0 21.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 C-N-CA 120.142 -0.623 . . . . 25.0 110.366 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -37.2 86.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 25.0 109.697 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.86 -28.85 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 25.0 110.285 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.36 -28.39 47.12 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.861 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.72 -53.26 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.73 87.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.038 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.41 -38.84 92.69 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.725 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.434 ' HB ' HG13 ' A' ' 51' ' ' ILE . 27.1 m -67.19 -42.78 83.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.99 -43.68 91.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.384 -0.198 . . . . 25.0 110.972 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -63.53 -40.86 98.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.245 -0.284 . . . . 25.0 111.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.32 -41.56 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.31 -37.74 88.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.118 -0.364 . . . . 25.0 110.816 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -79.04 -20.04 49.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.3 t -69.75 -25.18 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.125 -0.695 . . . . 25.0 109.125 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -85.47 138.61 32.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 174.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 t -150.64 160.51 43.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -83.15 76.72 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 173.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.4 p 56.39 -171.6 0.08 Allowed 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.079 1.352 . . . . 25.0 113.678 -173.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -153.36 160.89 42.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.387 -1.338 . . . . 25.0 107.387 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.25 142.82 44.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.82 71.22 3.35 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 123.14 1.447 . . . . 25.0 112.376 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 24.64 5.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 174.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -123.12 163.74 19.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -131.2 142.33 50.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -66.08 137.56 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.168 -1.419 . . . . 25.0 107.168 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -73.01 173.56 9.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 25.0 110.716 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 C--O 1.258 1.55 1 N-CA-C 99.101 -4.407 . . . . 25.0 99.101 165.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.111 0 CA-C-O 120.019 -0.323 . . . . 25.0 113.792 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -62.11 -45.19 94.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.576 0.688 . . . . 25.0 110.886 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.39 -26.08 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.856 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.85 -40.33 94.98 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.018 -0.426 . . . . 25.0 110.698 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -66.6 -15.57 63.55 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.6 -15.82 17.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.82 0.343 . . . . 25.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -83.63 90.52 7.28 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -48.87 -36.65 17.5 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.315 1.968 . . . . 25.0 116.315 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -60.3 -45.47 93.27 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.06 0.933 . . . . 25.0 110.736 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -70.59 -42.62 70.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.421 -1.263 . . . . 25.0 109.799 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -55.99 -37.91 50.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.127 -0.942 . . . . 25.0 110.985 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -58.52 -41.81 86.3 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.808 1.186 . . . . 25.0 113.278 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.472 -0.767 . . . . 25.0 110.889 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -29.67 69.93 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.168 0.509 . . . . 25.0 111.023 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.8 -41.79 98.18 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.595 0.758 . . . . 25.0 109.921 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -71.18 -39.04 72.1 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.32 93.0 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.13 -41.51 98.32 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -66.6 -43.08 85.79 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.951 0.723 . . . . 25.0 112.951 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 t -73.6 -20.46 60.6 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.529 -0.468 . . . . 25.0 111.345 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -79.04 -25.67 43.2 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.96 11.0 81.31 Favored Glycine 0 C--O 1.238 0.353 0 CA-C-O 121.579 0.544 . . . . 25.0 111.779 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.43 130.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.539 0.685 . . . . 25.0 109.538 -175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -96.77 84.59 3.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.6 t -144.47 142.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -65.95 140.58 58.33 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -49.46 68.27 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.12 73.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.696 0.284 . . . . 25.0 111.479 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.62 -38.2 70.83 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.25 -51.74 66.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.766 0.793 . . . . 25.0 108.929 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.08 -20.55 65.83 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.673 -0.694 . . . . 25.0 112.499 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -66.02 -31.67 72.7 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.079 -1.013 . . . . 25.0 110.411 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -77.33 -23.85 50.87 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.291 -0.88 . . . . 25.0 111.456 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.82 -30.08 68.55 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 170.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.95 -33.59 63.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.264 0.554 . . . . 25.0 111.434 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -63.69 -24.41 67.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 25.0 111.661 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.5 t -58.35 -43.43 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 116.335 -0.393 . . . . 25.0 109.951 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.14 -36.3 82.78 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.342 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -68.63 -55.78 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -29.09 45.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -130.01 68.31 80.72 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.36 -0.382 . . . . 25.0 110.912 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.71 -14.57 36.42 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.799 1.038 . . . . 25.0 114.799 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -9.66 57.88 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -69.88 -52.84 12.61 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.531 -0.731 . . . . 25.0 111.379 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -70.03 -15.06 35.96 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 114.573 -3.151 . . . . 25.0 114.205 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -61.85 -37.4 84.38 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.955 0.407 . . . . 25.0 110.73 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -75.48 -24.92 56.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 25.0 110.747 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.98 27.03 59.13 Favored Glycine 0 C--O 1.228 -0.232 0 CA-C-N 115.684 -0.689 . . . . 25.0 114.41 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.8 m -128.99 129.02 44.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.17 90.61 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 123.644 1.687 . . . . 25.0 110.109 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -124.57 158.69 32.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 104.549 -2.389 . . . . 25.0 104.549 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 tp -62.61 -30.09 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -67.65 -32.99 74.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.76 -0.587 . . . . 25.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -81.18 -32.12 33.71 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -64.47 -27.29 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -53.98 -44.8 71.1 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -53.72 -32.97 54.02 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.74 -39.24 77.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 -176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.86 -35.18 51.21 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.07 -39.12 91.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -45.78 90.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.348 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -63.26 -38.51 91.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.17 -38.35 78.66 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 111.668 0.248 . . . . 25.0 111.668 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.03 -41.56 81.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.905 0.859 . . . . 25.0 110.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.04 -36.91 85.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -67.82 -37.75 82.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.456 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.96 -31.53 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.108 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.0 m -69.44 -46.91 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.19 1.04 6.44 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.236 2.31 . . . . 25.0 117.236 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.69 -170.29 51.61 Favored Glycine 0 C--O 1.242 0.625 0 C-N-CA 120.63 -0.795 . . . . 25.0 114.336 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.66 -7.16 20.62 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.162 1.908 . . . . 25.0 115.659 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.53 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.218 -0.301 . . . . 25.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -110.0 -37.69 5.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.62 131.15 24.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.46 152.75 26.75 Favored 'Trans proline' 0 CA--C 1.517 -0.367 0 C-N-CA 115.339 -2.64 . . . . 25.0 111.699 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.9 -20.17 26.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 121.831 -0.543 . . . . 25.0 110.644 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -73.14 -20.34 60.94 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.776 -0.578 . . . . 25.0 111.385 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.09 80.41 Favored 'General case' 0 C--O 1.221 -0.398 0 O-C-N 121.639 -0.663 . . . . 25.0 109.413 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -73.42 -30.35 63.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 25.0 111.08 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -71.09 -44.62 65.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.07 -45.36 95.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.618 175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.53 -39.23 79.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.95 0.405 . . . . 25.0 111.77 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -64.67 -29.81 70.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.356 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.94 -40.04 83.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 121.261 0.553 . . . . 25.0 110.442 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.85 -30.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 121.282 -0.887 . . . . 25.0 108.845 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -59.78 -46.86 87.87 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.858 -0.526 . . . . 25.0 110.355 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.17 -31.78 71.57 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.798 0.726 . . . . 25.0 109.846 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.04 -39.67 79.04 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 112.651 0.612 . . . . 25.0 112.651 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.12 -42.33 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.635 0.652 . . . . 25.0 109.646 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.64 -35.19 73.89 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.991 0.424 . . . . 25.0 110.211 -175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -116.63 36.75 4.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.488 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -64.62 -19.04 65.45 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.075 0.464 . . . . 25.0 110.202 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.15 -27.23 66.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.1 m -120.37 11.79 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.293 0.568 . . . . 25.0 110.996 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -124.71 77.92 64.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.24 -20.46 49.3 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.245 -1.37 . . . . 25.0 115.003 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -63.04 -44.56 95.54 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.47 -30.3 7.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.523 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -40.87 86.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.934 0.788 . . . . 25.0 110.633 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.14 71.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.141 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.03 -30.71 34.81 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.5 -49.3 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.75 96.29 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.268 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.14 -34.4 77.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 m -69.26 -39.0 78.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.94 -37.1 83.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 119.712 -0.185 . . . . 25.0 110.933 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.07 -50.67 63.33 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.37 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.44 -37.17 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.893 -0.594 . . . . 25.0 109.889 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.65 -30.52 71.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.439 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 18.0 mmtp -68.99 -31.15 69.78 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.56 0.618 . . . . 25.0 111.162 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.4 t -83.3 -17.98 40.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.976 -0.557 . . . . 25.0 111.897 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.26 147.57 46.3 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -172.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 p -73.13 115.98 13.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.862 -0.608 . . . . 25.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -46.0 -49.84 15.62 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 m 52.36 51.23 16.66 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.914 1.34 . . . . 25.0 109.287 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -111.47 160.92 16.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.575 -1.648 . . . . 25.0 112.053 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.3 mt 63.96 135.81 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 117.944 2.572 . . . . 25.0 117.944 175.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.39 -173.53 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.775 -2.306 . . . . 25.0 104.775 175.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -115.26 50.6 0.97 Allowed 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.637 0.653 . . . . 25.0 111.156 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -141.92 137.47 31.34 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.218 -0.301 . . . . 25.0 111.47 -174.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 55.33 -138.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 106.986 -1.486 . . . . 25.0 106.986 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.4 m80 49.28 59.01 4.77 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.932 1.086 . . . . 25.0 113.932 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.3 m80 62.53 -140.94 0.41 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.774 . . . . 25.0 111.163 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.296 0 N-CA-C 101.745 -3.428 . . . . 25.0 101.745 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.352 0 CA-C-O 119.739 -0.478 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.07 -34.69 78.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.739 0.769 . . . . 25.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -72.29 -35.73 68.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.512 0.672 . . . . 25.0 109.822 178.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.56 -39.71 84.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -13.55 32.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 169.078 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -98.21 -17.52 18.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.703 0.763 . . . . 25.0 109.562 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -86.24 96.73 10.04 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 177.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -51.72 -38.95 57.43 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -176.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -58.4 -37.77 76.0 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.955 -0.466 . . . . 25.0 111.487 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.27 -39.39 54.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.35 0.595 . . . . 25.0 110.209 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.94 -42.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 115.669 -0.696 . . . . 25.0 112.019 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 119.267 0.939 . . . . 25.0 112.316 -178.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.316 0.579 . . . . 25.0 110.041 176.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -30.72 67.15 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.958 -0.464 . . . . 25.0 112.251 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.6 -40.48 87.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 174.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.93 -47.5 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 177.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.94 96.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.788 1.032 . . . . 25.0 113.788 -176.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 28' ' ' PHE . 3.3 mp -62.3 -40.85 97.64 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.41 -41.63 72.72 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.0 p -66.76 -30.69 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.737 0.303 . . . . 25.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -73.08 -25.86 61.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 25.0 110.048 176.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 7.55 73.95 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-O 121.542 0.523 . . . . 25.0 111.814 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.63 133.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -175.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -100.72 84.24 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.997 -170.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.22 139.44 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.22 138.07 58.23 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 106.421 -1.696 . . . . 25.0 106.421 176.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 19' ' ' LEU . 18.8 t80 -55.14 -48.01 74.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -35.18 76.01 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.826 0.346 . . . . 25.0 111.37 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -76.39 -28.37 56.69 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.708 -0.223 . . . . 25.0 110.687 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.89 -49.62 56.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 178.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.92 -35.04 75.66 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.843 -0.536 . . . . 25.0 110.455 174.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.85 -23.96 52.69 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.463 -0.773 . . . . 25.0 111.354 177.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.66 -19.94 60.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 173.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.95 -34.8 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.484 0.659 . . . . 25.0 110.246 177.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.57 -35.27 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -176.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.64 -35.04 68.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 O-C-N 122.068 -0.395 . . . . 25.0 110.164 178.023 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.82 -36.59 84.4 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.114 -0.366 . . . . 25.0 111.011 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.43 -53.52 28.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 25.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -73.88 -29.0 61.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.467 0.651 . . . . 25.0 112.64 -177.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.2 m -120.96 80.23 33.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.054 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.96 -13.37 31.6 Favored 'Trans proline' 0 C--N 1.344 0.318 0 CA-C-O 121.48 0.533 . . . . 25.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -86.77 -19.95 28.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.916 176.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.35 -46.18 90.1 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.99 -21.54 32.28 Favored 'Trans proline' 0 C--N 1.358 1.068 1 C-N-CA 112.8 -4.333 . . . . 25.0 113.662 177.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -75.65 -25.93 57.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.407 0.146 . . . . 25.0 111.165 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.1 -26.91 65.16 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.74 53.92 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.713 0.645 . . . . 25.0 114.713 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -129.37 128.86 43.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.358 0.579 . . . . 25.0 110.211 -174.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' HB ' ' A' ' 106' ' ' THR . 29.0 mm -113.36 111.36 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 122.902 1.334 . . . . 25.0 109.988 -179.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -155.94 163.07 40.21 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.752 -1.567 . . . . 25.0 107.823 175.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.15 -32.79 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.358 -178.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -67.74 -29.85 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.894 -0.504 . . . . 25.0 109.679 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -43.36 43.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -61.27 -27.2 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 -177.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.38 -49.28 67.54 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.013 0.435 . . . . 25.0 109.856 177.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -59.84 -27.59 66.77 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.6 -40.1 83.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.46 0.648 . . . . 25.0 109.751 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -34.03 51.02 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.408 -0.901 . . . . 25.0 110.923 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 176.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -43.26 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.882 178.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.72 -35.0 75.24 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -67.97 -45.94 72.79 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.877 -0.329 . . . . 25.0 110.716 -178.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -67.44 -37.99 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.049 0.452 . . . . 25.0 110.506 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.19 -36.99 82.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -66.72 -39.82 88.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.641 175.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.3 -34.27 77.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.015 -0.428 . . . . 25.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.5 m -82.19 -42.19 19.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -117.11 2.72 12.67 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.293 1.59 . . . . 25.0 115.293 -172.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.73 -175.26 53.61 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 116.175 1.23 . . . . 25.0 116.175 175.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.71 -13.21 34.48 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.696 1.598 . . . . 25.0 113.384 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.72 -15.22 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 25.0 110.873 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.79 -41.4 4.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.09 130.81 24.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.67 154.14 17.86 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 115.764 -2.357 . . . . 25.0 110.655 173.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.44 -20.53 27.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 O-C-N 121.453 -0.78 . . . . 25.0 110.889 177.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -75.55 -18.16 59.86 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.663 -0.648 . . . . 25.0 111.651 177.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.54 80.57 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.501 -0.749 . . . . 25.0 109.501 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.79 -31.61 70.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.56 . . . . 25.0 110.751 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -72.86 -45.02 60.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.51 -45.25 94.99 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 175.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -57.55 -38.36 74.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.754 0.311 . . . . 25.0 111.306 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.16 -34.19 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.808 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.96 -46.0 86.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.7 -32.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.52 -44.95 85.49 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 121.57 -0.706 . . . . 25.0 110.578 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.07 -24.57 60.69 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 119.242 -0.983 . . . . 25.0 110.815 -178.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.13 -38.8 79.03 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.166 -0.333 . . . . 25.0 110.693 177.08 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -78.18 -39.37 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.174 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.65 94.97 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 179.365 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -100.99 33.96 2.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.273 -176.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? -59.38 -26.84 65.45 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.003 0.43 . . . . 25.0 111.027 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -61.23 -33.99 74.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.988 1.107 . . . . 25.0 113.988 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.58 10.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.554 0.692 . . . . 25.0 110.436 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.05 77.83 66.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.19 -20.39 32.86 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 117.28 -1.347 . . . . 25.0 114.377 -176.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -69.2 -38.39 78.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.71 -28.64 6.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.838 178.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.1 tpt -60.38 -40.69 91.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.214 0.53 . . . . 25.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.02 -27.97 69.48 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.537 -0.727 . . . . 25.0 110.932 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 -30.43 35.7 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 122.123 -0.361 . . . . 25.0 110.529 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.2 -49.03 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 175.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.632 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.73 -37.26 85.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' HG13 ' A' ' 51' ' ' ILE . 29.0 m -62.28 -40.87 97.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.493 -0.928 . . . . 25.0 108.493 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -63.41 -43.1 98.48 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.323 -0.551 . . . . 25.0 111.426 176.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.67 -43.36 97.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.348 0.594 . . . . 25.0 110.696 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.79 -43.59 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.79 -0.641 . . . . 25.0 109.494 -178.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.48 -41.64 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.02 -0.425 . . . . 25.0 111.809 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -68.82 -21.41 64.31 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.268 0.47 . . . . 25.0 112.268 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -80.48 -25.08 39.03 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.212 0.53 . . . . 25.0 110.963 177.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -91.43 84.64 5.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.681 0.753 . . . . 25.0 112.359 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.7 m -62.93 90.82 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.962 -1.017 . . . . 25.0 112.956 175.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -78.69 -23.97 45.3 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 175.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -143.36 -179.53 6.47 Favored 'General case' 0 C--N 1.319 -0.745 1 N-CA-C 99.374 -4.306 . . . . 25.0 99.374 175.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 50.1 t0 56.0 48.36 17.95 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.695 -1.594 . . . . 25.0 106.695 -174.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.43 159.45 21.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.47 -1.695 . . . . 25.0 111.184 -173.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 66.07 -24.96 0.1 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.893 2.182 . . . . 25.0 116.893 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -39.27 -40.73 0.8 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -134.93 40.63 2.91 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.883 -0.511 . . . . 25.0 111.998 174.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -122.58 -42.52 2.32 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 21.1 t60 55.6 42.54 29.45 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 178.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -82.39 -169.96 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.713 178.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 67.6 m170 . . . . . 0 C--O 1.254 1.31 0 N-CA-C 104.477 -2.416 . . . . 25.0 104.477 171.49 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.287 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -65.3 -39.96 93.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.95 -42.83 89.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.343 0.592 . . . . 25.0 110.587 179.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 106' ' ' THR . 2.3 mp -57.72 -39.46 77.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 176.082 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -62.42 -21.21 65.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.984 1.105 . . . . 25.0 113.984 174.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.63 -19.68 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 -176.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -85.98 87.53 7.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.156 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -40.5 9.58 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 114.729 1.381 . . . . 25.0 114.729 -178.312 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.81 -35.91 77.71 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 178.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -76.27 -38.93 55.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.43 0.633 . . . . 25.0 109.512 176.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.45 -36.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.805 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.9 -42.73 76.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 178.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -70.24 -39.03 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.815 -0.553 . . . . 25.0 110.237 178.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.83 -23.67 62.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.956 0.724 . . . . 25.0 112.956 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.57 -35.5 76.23 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 176.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -78.21 -45.7 22.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.79 81.33 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -175.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.96 -39.82 91.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.37 -48.43 64.77 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 t -69.94 -23.68 63.23 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -173.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -23.49 48.28 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 175.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.67 15.97 76.6 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.646 -0.981 . . . . 25.0 110.646 -176.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.89 93.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 123.607 1.67 . . . . 25.0 108.254 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.3 84.34 5.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.01 -1.45 . . . . 25.0 110.251 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.49 162.91 36.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 179.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -69.9 140.44 53.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 175.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -48.54 78.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.67 77.56 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.618 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -72.31 -28.37 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.82 -56.78 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.801 -0.76 . . . . 25.0 109.106 176.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.32 -22.99 55.17 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.53 -37.8 65.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.471 0.653 . . . . 25.0 110.165 174.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -77.24 -23.78 51.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -67.38 -28.25 67.78 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.64 -1.245 . . . . 25.0 107.64 173.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -26.13 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.296 0.57 . . . . 25.0 111.13 178.073 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.68 -40.37 88.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.364 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -33.48 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.765 -0.584 . . . . 25.0 110.582 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.57 71.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -53.47 11.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -177.159 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.52 -29.25 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.795 0.807 . . . . 25.0 112.096 -178.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.55 77.82 55.1 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.597 -0.728 . . . . 25.0 110.651 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.26 -16.17 35.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 CA-C-O 121.687 0.619 . . . . 25.0 111.959 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 -17.82 58.77 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.961 176.004 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -53.61 27.35 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 121.427 -0.796 . . . . 25.0 111.376 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.48 -20.5 27.21 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.438 -3.908 . . . . 25.0 113.624 175.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.45 -36.19 83.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.031 0.443 . . . . 25.0 110.409 177.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -76.0 -23.53 55.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.847 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.41 24.61 52.71 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 114.636 0.614 . . . . 25.0 114.636 177.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.9 m -128.32 126.89 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -175.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.5 mt -119.22 101.07 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.919 1.342 . . . . 25.0 110.046 -175.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -141.69 164.26 30.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.422 -2.436 . . . . 25.0 104.422 176.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.5 -28.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.237 -0.185 . . . . 25.0 111.378 -177.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.78 -32.24 73.67 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.442 -0.786 . . . . 25.0 109.956 175.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -78.89 -41.47 29.63 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -68.91 -32.01 71.33 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -177.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -63.11 -39.44 94.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.36 -0.837 . . . . 25.0 110.516 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -57.76 -27.82 63.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.62 -39.47 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.559 0.695 . . . . 25.0 109.417 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.03 -35.02 58.05 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.674 -0.971 . . . . 25.0 110.674 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.75 -39.7 92.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.62 -43.83 92.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.851 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -62.22 -39.06 91.54 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.92 -43.04 89.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.22 -0.289 . . . . 25.0 110.22 -177.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.47 -44.35 82.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.587 0.708 . . . . 25.0 111.236 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.14 -34.7 79.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.178 0.513 . . . . 25.0 109.987 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.58 -38.32 80.58 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.382 -0.372 . . . . 25.0 110.223 177.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -67.47 -33.39 75.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.51 . . . . 25.0 109.756 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.5 m -71.39 -45.97 61.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.759 0.652 . . . . 25.0 112.759 -178.261 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.24 5.55 6.38 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.737 2.495 . . . . 25.0 117.737 -172.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.8 -172.23 55.17 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 115.869 1.108 . . . . 25.0 115.869 175.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -69.82 -12.36 32.64 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 121.998 1.799 . . . . 25.0 114.071 -178.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.13 -18.37 63.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.341 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -113.02 -38.55 4.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -178.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.0 t -122.38 130.94 24.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 173.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.23 154.15 24.87 Favored 'Trans proline' 0 CA--C 1.518 -0.305 0 C-N-CA 114.91 -2.926 . . . . 25.0 111.572 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.9 -21.68 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.71 -0.619 . . . . 25.0 110.849 177.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.93 -17.79 60.51 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.67 -0.644 . . . . 25.0 111.466 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.01 77.36 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 120.226 -0.59 . . . . 25.0 109.627 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -71.03 -30.43 66.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 25.0 111.44 178.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.7 t -73.32 -44.76 58.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.62 -43.79 98.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.58 175.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -58.68 -37.46 76.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.779 0.323 . . . . 25.0 111.68 -179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.85 -32.36 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.221 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.29 -47.08 77.9 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.408 0.623 . . . . 25.0 110.401 178.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.42 -29.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -59.83 -46.53 88.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.698 -0.626 . . . . 25.0 110.527 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.02 -30.76 68.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.345 0.975 . . . . 25.0 110.227 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.05 -46.57 90.17 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 120.48 0.181 . . . . 25.0 110.922 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.27 -39.9 19.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.944 -178.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.03 -34.8 73.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.161 -0.337 . . . . 25.0 110.34 -176.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -114.52 32.34 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 178.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.56 -20.07 65.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.381 0.61 . . . . 25.0 109.955 176.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -59.63 -28.39 67.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.093 1.145 . . . . 25.0 114.093 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 m -118.8 10.66 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.334 0.588 . . . . 25.0 110.893 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.99 86.07 58.4 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.191 -0.459 . . . . 25.0 109.993 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -66.47 -21.62 53.0 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 117.034 -1.511 . . . . 25.0 114.374 -177.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -59.91 -46.05 90.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.88 -32.58 7.61 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.541 0 CA-C-N 115.367 -0.833 . . . . 25.0 110.365 -174.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -39.78 90.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.387 0.54 . . . . 25.0 110.486 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.94 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.99 -0.444 . . . . 25.0 110.388 176.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.6 57.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.42 -48.92 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 177.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.59 98.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.97 -38.8 92.55 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.32 -0.552 . . . . 25.0 111.534 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 5' ' ' LEU . 33.0 m -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.133 -0.627 . . . . 25.0 109.332 -178.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.49 -47.88 82.64 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.066 -0.654 . . . . 25.0 110.744 178.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.8 -35.33 79.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -177.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.5 mt -66.87 -40.0 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.45 -37.46 85.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.943 -0.473 . . . . 25.0 110.705 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.26 -26.49 65.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.785 0.326 . . . . 25.0 111.214 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -83.2 -20.68 34.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 178.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -81.28 171.87 14.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 25.0 109.584 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.8 t -137.08 147.14 45.91 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.98 4.63 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.366 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 m 66.3 143.74 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.869 1.268 . . . . 25.0 112.343 -174.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -91.58 136.11 33.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.617 0.723 . . . . 25.0 110.404 -179.31 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.72 168.08 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 -179.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 126.12 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 178.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -152.01 36.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.308 -0.405 . . . . 25.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -5.93 95.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 116.904 2.187 . . . . 25.0 116.904 -174.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -123.96 135.35 53.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -174.194 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.73 136.28 52.59 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -135.85 -45.85 0.66 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 . . . . . 0 C--N 1.321 -0.654 1 N-CA-C 99.678 -4.193 . . . . 25.0 99.678 168.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.099 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -66.29 -37.55 85.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.919 -0.754 . . . . 25.0 110.326 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -63.91 -40.33 96.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.897 -0.502 . . . . 25.0 110.495 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.82 -19.14 65.68 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.741 1.015 . . . . 25.0 113.741 172.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -92.9 -21.02 20.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -177.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -88.22 89.74 8.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 177.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.14 -29.29 63.48 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -173.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.78 -45.85 81.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.489 0.661 . . . . 25.0 110.312 174.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -69.81 -43.03 72.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.83 -42.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 24.4 tt0 -61.29 -44.09 97.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -177.056 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -39.81 80.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 178.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.86 -23.47 67.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -177.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 49.7 mttm -51.34 -36.04 41.08 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 176.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -77.86 -41.64 36.17 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.775 0.287 . . . . 25.0 111.775 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -31.51 72.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.986 0.422 . . . . 25.0 111.564 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.9 -35.62 78.91 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 174.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? -78.54 -36.33 44.87 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -66.26 -11.74 52.11 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.227 0.825 . . . . 25.0 113.227 -175.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.789 ' HE ' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.9 -20.86 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.074 -0.391 . . . . 25.0 110.795 174.503 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.95 13.41 82.6 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.055 -0.593 . . . . 25.0 113.952 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.74 154.91 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 84.34 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.174 0.511 . . . . 25.0 111.273 -176.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.75 154.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.409 0.623 . . . . 25.0 109.692 176.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -104.67 157.33 17.26 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.18 -44.54 94.98 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.979 -0.451 . . . . 25.0 110.255 173.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.26 68.44 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 120.743 0.306 . . . . 25.0 111.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -76.65 -54.63 6.4 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.109 -0.701 . . . . 25.0 109.109 177.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -49.19 74.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.325 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.38 -22.14 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.836 -0.54 . . . . 25.0 112.182 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.04 -35.34 73.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.316 -0.553 . . . . 25.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.41 -23.78 54.03 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.533 -0.73 . . . . 25.0 111.88 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -75.42 -26.98 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.763 -0.585 . . . . 25.0 110.336 170.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.76 -33.98 73.16 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 172.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.65 -30.92 70.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.684 -0.235 . . . . 25.0 110.963 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.65 -46.7 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.215 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -62.22 -41.55 98.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.746 -0.661 . . . . 25.0 109.89 -173.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.32 -49.71 68.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.879 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -78.08 -29.15 48.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.505 0.669 . . . . 25.0 112.18 -176.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.09 75.62 78.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 122.8 0.44 . . . . 25.0 111.355 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.06 -15.18 32.3 Favored 'Trans proline' 0 C--N 1.343 0.281 0 CA-C-O 121.54 0.558 . . . . 25.0 112.47 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -81.88 -15.76 52.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.101 176.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -64.99 -52.65 47.73 Favored Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 121.46 -0.775 . . . . 25.0 111.09 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -70.0 -21.17 32.74 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 113.496 -3.87 . . . . 25.0 113.619 177.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.79 -38.78 89.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.608 0.242 . . . . 25.0 111.279 178.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 55' ' ' ARG . 38.1 mt-10 -77.87 -15.2 59.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.194 -0.316 . . . . 25.0 110.744 178.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.48 23.02 40.81 Favored Glycine 0 C--O 1.225 -0.462 0 N-CA-C 117.383 1.713 . . . . 25.0 117.383 171.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.3 m -127.19 133.18 50.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.881 0.84 . . . . 25.0 109.87 -175.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.98 107.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 122.261 1.029 . . . . 25.0 111.134 -173.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.2 162.08 40.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 176.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -62.72 -31.66 52.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -178.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -66.18 -29.48 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.588 -0.695 . . . . 25.0 109.561 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 48' ' ' GLU . 32.9 mtt-85 -85.09 -38.46 19.08 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 111.371 176.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -64.24 -30.5 71.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.878 0.371 . . . . 25.0 111.379 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 72.0 mtt180 -59.87 -43.12 94.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.13 -0.356 . . . . 25.0 110.952 177.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.95 -29.22 65.01 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 175.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.8 -38.08 80.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.82 -34.33 53.41 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.044 -0.822 . . . . 25.0 111.044 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.59 -39.37 93.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 176.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.44 95.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.554 178.033 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.27 -34.89 79.15 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.348 -0.541 . . . . 25.0 109.922 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -69.42 -37.59 77.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.803 0.335 . . . . 25.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.89 -47.42 74.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 25.0 109.632 178.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.76 -32.62 74.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.834 179.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.32 -42.76 78.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.184 177.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -66.08 -24.22 66.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -172.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 m -58.05 -41.21 82.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.356 -178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.22 -44.67 1.57 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.99 -163.86 24.79 Favored Glycine 0 C--O 1.24 0.508 0 N-CA-C 111.826 -0.51 . . . . 25.0 111.826 -174.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.93 -10.81 29.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.366 1.377 . . . . 25.0 114.33 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.64 -20.56 59.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.25 0.548 . . . . 25.0 110.121 176.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.74 -44.76 7.64 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.231 -0.44 . . . . 25.0 112.006 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.33 130.84 23.66 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 105.4 -2.074 . . . . 25.0 105.4 175.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.83 153.31 29.38 Favored 'Trans proline' 0 CA--C 1.514 -0.477 0 C-N-CA 114.889 -2.941 . . . . 25.0 112.334 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.59 -21.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.812 -0.555 . . . . 25.0 111.46 177.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -71.05 -21.8 62.21 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.473 -0.767 . . . . 25.0 110.797 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.06 82.58 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 119.775 -0.77 . . . . 25.0 109.543 177.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -74.67 -29.05 61.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.867 0.365 . . . . 25.0 110.848 177.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.5 t -70.7 -44.67 66.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.79 -42.64 97.69 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.726 -0.67 . . . . 25.0 109.797 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.411 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 82.4 t90 -58.99 -38.65 79.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.073 -0.392 . . . . 25.0 111.324 178.237 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -66.45 -28.72 68.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.368 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD13 ' HE ' ' A' ' 22' ' ' ARG . 37.0 tp -64.6 -47.92 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 121.198 0.523 . . . . 25.0 110.276 176.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.55 -29.59 27.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 120.943 -1.098 . . . . 25.0 108.563 -178.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -59.4 -51.34 70.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 176.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -69.44 -30.34 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.68 -43.77 79.39 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 112.465 0.543 . . . . 25.0 112.465 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.61 -39.3 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.05 -27.54 68.96 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.106 0.479 . . . . 25.0 110.558 -178.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -123.64 36.28 4.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.413 177.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.55 -16.75 64.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.164 0.507 . . . . 25.0 111.975 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.85 -32.75 74.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.614 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.61 8.51 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.758 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -123.83 80.63 56.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 177.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.51 -20.98 53.64 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 117.141 -1.439 . . . . 25.0 114.683 -174.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -65.22 -49.05 71.16 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.7 -30.47 29.11 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 118.776 -1.169 . . . . 25.0 110.308 -176.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -40.67 91.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.642 0.655 . . . . 25.0 110.218 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 25.0 110.381 176.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.68 48.58 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.52 -47.96 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 177.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.81 73.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.458 179.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.71 -37.41 86.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.045 0.758 . . . . 25.0 113.045 -178.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 m -67.92 -39.08 83.61 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -179.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.4 -40.25 96.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.044 -0.662 . . . . 25.0 110.942 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.22 -45.71 92.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.123 0.487 . . . . 25.0 109.824 178.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.31 -40.39 82.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.832 -177.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.72 -38.44 91.14 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.015 -0.428 . . . . 25.0 110.984 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -77.27 -34.18 55.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t -83.44 -49.43 9.31 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 50.99 -160.6 0.08 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.388 -1.278 . . . . 25.0 112.207 -170.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.6 t -157.76 175.71 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 178.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -85.01 53.6 2.8 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.482 0.658 . . . . 25.0 111.223 179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 m 50.44 61.11 3.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.34 89.13 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -112.22 -179.32 3.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 177.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 45.99 50.83 11.24 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 175.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.03 130.54 47.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 107.748 -1.205 . . . . 25.0 107.748 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 136.29 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.246 1.202 . . . . 25.0 114.246 -167.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 65.93 -179.71 0.2 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.342 1.057 . . . . 25.0 110.096 178.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 61.89 -177.46 0.13 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 108.546 -0.909 . . . . 25.0 108.546 -171.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -166.33 -43.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 174.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.24 0.591 0 N-CA-C 100.981 -3.711 . . . . 25.0 100.981 165.078 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.293 0 N-CA-C 116.977 1.551 . . . . 25.0 116.977 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.31 -27.47 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.661 1.231 . . . . 25.0 113.325 -178.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.26 -31.11 60.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 177.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.99 -35.59 80.98 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.168 -0.333 . . . . 25.0 111.085 -176.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -18.17 57.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 115.142 1.534 . . . . 25.0 115.142 173.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.47 -18.04 18.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 25.0 110.495 -178.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -82.03 92.47 6.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.114 -0.493 . . . . 25.0 110.69 -176.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.02 -39.01 65.75 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -173.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -56.25 -33.33 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -88.21 -40.3 13.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.51 . . . . 25.0 110.278 178.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.5 t -58.36 -32.47 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.767 176.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.96 -44.7 67.32 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.357 0.526 . . . . 25.0 111.356 175.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -72.24 -41.07 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.323 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.23 -24.81 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.74 -35.8 77.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 175.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -83.77 -40.5 18.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.454 176.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.78 78.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -175.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.28 -42.49 98.73 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 107.181 -1.415 . . . . 25.0 107.181 176.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -64.4 -43.91 92.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.749 -1.114 . . . . 25.0 112.068 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -20.02 61.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -175.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 173.526 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.09 19.7 78.61 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.186 -0.53 . . . . 25.0 111.91 -177.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 22' ' ' ARG . 11.9 p -102.04 119.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.391 1.091 . . . . 25.0 111.139 -174.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -87.38 84.41 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.653 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.07 153.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -69.91 133.59 47.49 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 104.789 -2.3 . . . . 25.0 104.789 176.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 -175.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.5 71.25 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.369 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.35 -40.78 64.15 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 110.209 -0.293 . . . . 25.0 110.209 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.1 -50.62 72.97 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.57 -30.6 71.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.584 -0.734 . . . . 25.0 112.736 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -63.65 -28.93 70.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.802 -0.561 . . . . 25.0 111.436 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.0 -24.14 59.54 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.107 -0.996 . . . . 25.0 112.039 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.29 -27.24 62.34 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.536 0.684 . . . . 25.0 109.703 169.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.32 -29.26 61.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.283 0.563 . . . . 25.0 109.592 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -67.76 -36.58 80.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.429 178.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -63.41 -23.51 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.909 0.385 . . . . 25.0 111.032 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.14 -35.68 79.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.04 -177.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.96 -39.2 66.38 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.692 0.758 . . . . 25.0 110.457 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -32.0 42.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.415 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.9 m -136.65 78.67 42.56 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.502 -0.772 . . . . 25.0 112.133 -175.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -70.87 -17.21 32.71 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 CA-C-O 121.7 0.625 . . . . 25.0 112.305 178.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -10.59 59.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.213 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -69.14 -53.01 14.55 Favored Pre-proline 0 CA--C 1.545 0.76 0 O-C-N 121.29 -0.881 . . . . 25.0 111.481 178.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.13 -20.96 37.1 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 114.486 -3.209 . . . . 25.0 113.544 176.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -62.59 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.95 0.405 . . . . 25.0 110.177 177.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -73.81 -38.06 64.69 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.676 -0.41 . . . . 25.0 110.078 176.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.95 32.85 67.15 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 116.302 -0.408 . . . . 25.0 112.203 -178.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -120.14 121.37 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 -178.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.1 103.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 123.167 1.461 . . . . 25.0 110.972 -171.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -143.82 167.55 22.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 103.585 -2.746 . . . . 25.0 103.585 175.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.17 -26.69 38.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.069 0.395 . . . . 25.0 111.311 -178.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -67.23 -33.44 75.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.564 -0.71 . . . . 25.0 109.556 175.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -81.57 -25.07 36.12 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.704 0.402 . . . . 25.0 110.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -86.22 -26.82 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.843 0.457 . . . . 25.0 111.819 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -56.75 -48.78 77.05 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -57.68 -23.11 49.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.96 -35.29 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.253 -1.017 . . . . 25.0 108.253 -175.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.23 -36.48 55.86 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.505 -1.038 . . . . 25.0 110.505 178.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.96 -38.46 91.17 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -41.37 96.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 25.0 111.587 176.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.46 -36.61 83.01 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.241 -0.652 . . . . 25.0 109.241 178.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -67.03 -39.59 87.02 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.989 0.18 . . . . 25.0 110.846 -177.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.75 -32.85 60.14 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.797 -0.761 . . . . 25.0 111.193 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.24 -37.6 87.76 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -67.68 -36.05 79.98 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.559 176.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.38 -34.5 78.3 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.817 -0.552 . . . . 25.0 109.799 177.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -77.28 -43.73 32.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -123.61 4.72 8.92 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 -173.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.62 -171.88 51.31 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 115.954 1.142 . . . . 25.0 115.954 176.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.11 -9.65 23.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.518 2.146 . . . . 25.0 115.619 -176.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.14 -26.86 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.984 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -94.82 -39.8 10.07 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.96 -0.296 . . . . 25.0 111.09 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.63 130.92 24.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 174.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.18 154.6 14.5 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.97 177.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.07 -20.8 27.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 121.689 -0.632 . . . . 25.0 110.652 176.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -74.33 -17.35 60.85 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.695 -0.628 . . . . 25.0 111.409 177.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.48 84.01 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.062 -0.655 . . . . 25.0 109.46 178.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.64 -30.12 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.166 0.508 . . . . 25.0 110.789 178.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 t -74.32 -45.09 49.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m-85 -60.41 -48.04 83.49 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 175.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -55.29 -38.95 69.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -67.68 -35.91 79.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.03 -177.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.68 -35.74 81.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.939 -178.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 82' ' ' TYR . 3.3 mp -83.83 -27.89 7.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 176.583 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -42.53 93.63 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.513 -0.742 . . . . 25.0 110.255 178.158 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.794 0.725 . . . . 25.0 110.407 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.08 -40.74 91.07 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.469 -0.145 . . . . 25.0 111.058 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.24 -40.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.163 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.52 -32.48 71.5 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.084 -0.385 . . . . 25.0 110.16 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -112.05 28.97 8.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 177.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -67.81 -18.98 65.02 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.345 0.593 . . . . 25.0 109.599 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.28 -32.14 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.929 176.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.53 7.46 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.586 0.708 . . . . 25.0 110.396 -178.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -124.88 82.62 60.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.75 -17.62 42.23 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.671 -1.086 . . . . 25.0 113.828 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -65.34 -43.22 91.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 p -84.71 -28.94 6.75 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.53 179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -60.39 -36.99 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 118.515 0.598 . . . . 25.0 109.937 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.2 71.32 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.062 -0.399 . . . . 25.0 111.244 176.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.0 -35.88 42.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 178.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.87 -51.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.64 98.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 25.0 110.177 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -62.18 -39.23 92.01 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.171 -0.612 . . . . 25.0 111.324 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -66.71 -36.47 82.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.529 -0.732 . . . . 25.0 109.628 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -62.1 -41.91 98.68 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.03 -0.419 . . . . 25.0 110.419 175.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -65.61 -45.84 81.63 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.281 0.563 . . . . 25.0 110.996 177.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.5 mt -64.3 -39.04 84.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 CA-C-N 116.048 -0.524 . . . . 25.0 111.649 -175.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -37.34 86.01 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.551 -178.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.451 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 31.0 mmtp -81.74 -30.44 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 114.635 1.346 . . . . 25.0 114.635 176.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.7 t -80.93 -45.28 16.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.293 0.568 . . . . 25.0 111.581 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 48.3 31.44 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.396 1.479 . . . . 25.0 114.579 -175.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.4 t -81.18 76.86 8.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.613 0.721 . . . . 25.0 109.124 176.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.33 -26.99 69.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.167 -177.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.9 p -90.12 83.29 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.76 0.79 . . . . 25.0 111.429 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -95.95 12.03 31.8 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.347 1.07 . . . . 25.0 109.88 177.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 mt -72.61 134.83 45.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.68 -1.145 . . . . 25.0 109.077 -179.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -156.84 164.36 38.17 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -80.31 21.84 0.58 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.537 0.735 . . . . 25.0 110.978 178.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 127.64 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 25.0 112.065 -174.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -137.92 115.13 10.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.909 -176.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.72 147.24 46.72 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.575 -0.284 . . . . 25.0 110.467 -178.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -134.79 170.1 16.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.738 -1.578 . . . . 25.0 106.738 177.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 . . . . . 0 C--O 1.254 1.312 1 N-CA-C 98.028 -4.804 . . . . 25.0 98.028 170.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.17 0 N-CA-C 113.622 0.209 . . . . 25.0 113.622 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.16 -39.72 91.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 177.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -75.55 -38.29 59.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.622 -177.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 2.0 mm? -65.94 -38.19 87.98 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.818 -0.551 . . . . 25.0 111.25 176.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -68.77 -15.54 63.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 174.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -93.63 -21.32 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.42 0.628 . . . . 25.0 109.605 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.5 88.38 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 25.0 111.097 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -44.88 -43.76 9.1 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.307 1.595 . . . . 25.0 115.307 -175.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -42.46 99.39 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.736 -0.603 . . . . 25.0 110.583 -177.196 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.27 -44.27 75.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.312 177.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.83 -41.97 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.926 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.467 -0.771 . . . . 25.0 112.707 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -41.29 55.61 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 173.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.0 -23.5 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -52.28 -36.72 53.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.84 -50.57 12.02 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.678 176.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.7 98.98 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.859 1.429 . . . . 25.0 114.859 -176.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 178.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -68.73 -39.74 80.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 25.0 112.272 -178.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -23.64 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.081 0.467 . . . . 25.0 112.016 -175.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -77.75 -16.88 58.11 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.905 -0.497 . . . . 25.0 111.392 176.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.69 1.19 61.19 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.956 -0.457 . . . . 25.0 111.956 -176.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -72.88 125.08 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.139 0.971 . . . . 25.0 109.493 -175.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -92.06 84.43 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.665 -176.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 m -133.27 157.48 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.483 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -83.57 144.02 29.76 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 104.83 -2.285 . . . . 25.0 104.83 176.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -49.74 65.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.65 70.09 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.782 -179.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.56 -36.31 44.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 25.0 110.408 -179.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.79 -53.81 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.434 0.635 . . . . 25.0 109.296 178.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.48 -19.93 65.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 2.3 pttt -61.41 -29.95 70.26 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.267 -0.895 . . . . 25.0 109.943 175.124 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CE2' ' HE2' ' A' ' 33' ' ' LYS . 61.4 m-85 -80.24 -23.91 40.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.934 -0.479 . . . . 25.0 111.629 176.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.54 -31.91 70.39 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 106.827 -1.546 . . . . 25.0 106.827 171.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.07 -28.09 60.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.604 -0.685 . . . . 25.0 110.828 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -68.28 -27.96 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 25.0 110.325 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.44 -47.16 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 173.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -59.79 -45.0 93.67 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.811 -172.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -70.73 -26.95 63.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -97.24 -27.42 14.53 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.701 0.762 . . . . 25.0 111.921 -178.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.8 m -128.82 80.35 72.87 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 123.266 0.626 . . . . 25.0 110.779 -177.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.61 -17.22 33.88 Favored 'Trans proline' 0 C--N 1.343 0.258 0 CA-C-O 121.567 0.57 . . . . 25.0 111.984 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -12.31 60.01 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.242 176.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.18 -50.87 14.89 Favored Pre-proline 0 CA--C 1.542 0.653 0 O-C-N 121.081 -1.012 . . . . 25.0 112.511 -178.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.7 -20.6 40.04 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 113.449 -3.901 . . . . 25.0 112.96 175.008 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.59 -36.84 83.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.627 0.251 . . . . 25.0 110.79 176.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.8 -33.29 68.42 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.48 -10.34 1.03 Allowed Glycine 0 C--O 1.218 -0.848 0 N-CA-C 117.713 1.845 . . . . 25.0 117.713 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.0 m -99.51 137.13 38.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.208 0.504 . . . . 25.0 110.135 -174.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mm -106.29 113.2 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.62 1.2 . . . . 25.0 109.863 179.169 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.49 157.66 38.71 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 175.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.62 -32.05 56.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.289 -0.414 . . . . 25.0 111.056 -176.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -68.2 -30.11 69.12 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.565 -0.454 . . . . 25.0 111.427 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -82.93 -33.91 26.66 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -62.3 -27.28 68.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.413 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -54.54 -46.81 73.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.316 -0.253 . . . . 25.0 110.316 175.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -54.97 -31.93 61.16 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -177.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -70.67 -40.75 77.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.286 0.565 . . . . 25.0 109.974 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.38 61.19 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.202 -1.159 . . . . 25.0 110.202 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -62.36 -41.38 98.56 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -42.83 99.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.698 178.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -64.17 -38.55 91.46 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -67.41 -43.03 82.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.86 -0.155 . . . . 25.0 111.372 -177.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -59.9 -47.57 85.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.15 -37.89 84.56 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.063 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.92 -40.29 96.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -34.74 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.631 -0.668 . . . . 25.0 110.287 -178.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 m -69.38 -43.25 73.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.507 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 8.84 6.66 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 117.9 2.555 . . . . 25.0 117.9 -170.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.22 174.55 49.88 Favored Glycine 0 C--O 1.246 0.849 0 N-CA-C 117.674 1.83 . . . . 25.0 117.674 173.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.79 -14.54 39.23 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.733 2.289 . . . . 25.0 114.77 -179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -74.45 -15.78 60.89 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.109 -0.369 . . . . 25.0 110.441 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -99.44 -44.0 6.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.94 130.86 24.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 174.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.24 153.43 24.46 Favored 'Trans proline' 0 CA--C 1.517 -0.33 0 C-N-CA 114.832 -2.979 . . . . 25.0 111.729 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.88 -21.12 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 121.899 -0.501 . . . . 25.0 110.584 176.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.78 -19.35 61.37 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.626 -0.671 . . . . 25.0 111.34 177.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.79 85.05 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.97 -32.53 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.131 0.491 . . . . 25.0 110.736 177.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -68.29 -45.27 73.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.88 -43.81 97.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 25.0 109.796 175.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -58.09 -39.62 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.351 . . . . 25.0 111.239 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.633 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.68 -41.26 83.95 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 121.442 0.639 . . . . 25.0 110.272 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.25 -29.88 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 178.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -59.13 -47.04 86.73 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.946 -0.471 . . . . 25.0 110.079 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.95 -29.27 65.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.827 0.74 . . . . 25.0 110.314 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.11 -40.57 90.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.725 177.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.0 mt -78.32 -43.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.294 -0.563 . . . . 25.0 109.872 178.159 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.78 -31.64 70.99 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 25.0 111.483 -175.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -117.03 33.87 5.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.53 -0.305 . . . . 25.0 111.171 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -64.71 -22.87 67.08 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.247 0.546 . . . . 25.0 109.858 176.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 4.4 pt-20 -60.66 -35.86 77.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.73 7.19 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.7 0.762 . . . . 25.0 109.527 -178.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -125.23 77.9 67.47 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.042 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -66.0 -16.95 54.42 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 117.26 -1.36 . . . . 25.0 112.682 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.53 -44.58 90.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 p -84.84 -25.19 7.0 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 120.596 -0.442 . . . . 25.0 111.845 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.04 -36.3 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.103 -0.373 . . . . 25.0 110.539 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.81 77.48 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.475 -0.765 . . . . 25.0 111.212 177.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -31.98 65.11 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.184 -0.323 . . . . 25.0 110.466 178.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.43 -51.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.17 92.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.286 0.565 . . . . 25.0 111.567 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.98 -41.29 97.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.039 -0.413 . . . . 25.0 110.806 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -61.9 -42.42 99.06 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.69 -50.35 68.48 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -77.23 -30.64 54.68 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 5' ' ' LEU . 63.7 mt -65.27 -38.31 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.2 -23.79 65.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.43 -35.29 70.89 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.157 0.503 . . . . 25.0 110.025 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.9 t -83.48 -23.86 32.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.283 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.15 176.63 9.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.755 -0.657 . . . . 25.0 112.039 -173.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.2 t 57.52 48.23 14.79 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 173.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.35 58.31 1.28 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.746 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 m 52.77 51.27 16.3 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 122.568 1.175 . . . . 25.0 112.377 178.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -133.58 107.14 7.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.628 -1.169 . . . . 25.0 111.415 -176.759 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.3 mt -123.84 147.02 47.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.724 -175.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 51.71 29.99 6.33 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 113.688 0.996 . . . . 25.0 113.688 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -7.01 7.95 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -115.47 115.65 26.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 172.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -52.15 129.58 28.04 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.233 0.54 . . . . 25.0 110.119 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.75 30.22 4.11 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -168.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 55.45 67.47 1.01 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 122.277 1.037 . . . . 25.0 109.627 -173.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 60.5 m170 . . . . . 0 C--O 1.261 1.707 1 N-CA-C 98.766 -4.531 . . . . 25.0 98.766 173.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.325 0 N-CA-C 112.12 -0.392 . . . . 25.0 112.12 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -56.69 -39.71 74.3 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 122.234 0.213 . . . . 25.0 110.443 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -85.79 -39.95 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.059 0.457 . . . . 25.0 111.692 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.72 -45.75 85.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.496 -0.32 . . . . 25.0 111.468 -176.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -57.4 -29.91 64.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 172.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -87.69 -19.27 27.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.331 0.586 . . . . 25.0 110.493 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -82.8 84.8 7.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -178.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.84 -33.39 56.13 Favored 'General case' 0 C--O 1.208 -1.113 0 N-CA-C 114.373 1.249 . . . . 25.0 114.373 -173.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -62.76 -36.84 84.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.609 1.095 . . . . 25.0 112.361 176.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -70.99 -46.24 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 176.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -56.38 -39.34 60.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 CA-C-N 115.813 -0.631 . . . . 25.0 110.939 177.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 62.5 tt0 -56.72 -44.79 81.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.452 0.701 . . . . 25.0 111.917 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -37.05 65.15 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.42 -23.52 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 179.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 59.7 mttm -56.04 -39.23 71.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -76.84 -43.86 34.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.257 -0.428 . . . . 25.0 110.744 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.35 87.33 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -176.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 176.053 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -71.13 -40.8 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -178.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -68.65 -25.52 64.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.398 0.544 . . . . 25.0 112.327 -177.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -73.09 -21.55 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.607 . . . . 25.0 109.422 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.99 11.29 85.53 Favored Glycine 0 N--CA 1.458 0.102 0 CA-C-N 116.369 -0.378 . . . . 25.0 114.041 174.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -96.88 118.22 42.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -176.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -79.25 84.51 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.378 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.71 155.98 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 175.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -75.7 138.78 41.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 25.0 109.21 -178.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -49.88 71.34 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.724 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.74 75.36 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.19 0.519 . . . . 25.0 109.987 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -75.97 -33.88 59.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 -175.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -48.44 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.721 0.772 . . . . 25.0 109.016 176.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.97 -27.37 65.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.798 1.036 . . . . 25.0 113.798 175.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.07 -39.55 92.78 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.338 -0.545 . . . . 25.0 109.787 176.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.46 -23.75 53.86 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.809 -0.557 . . . . 25.0 111.579 178.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -64.6 -23.26 67.21 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 171.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.78 -35.2 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.775 -0.578 . . . . 25.0 111.085 176.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -62.65 -33.3 74.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -178.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -39.3 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 121.63 -0.669 . . . . 25.0 109.338 176.661 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -38.99 92.73 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.514 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -64.22 -38.43 91.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.923 0.392 . . . . 25.0 111.758 -179.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -87.38 -29.0 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.382 0.611 . . . . 25.0 111.728 -176.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.0 m -123.5 80.9 53.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.236 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -70.6 -16.86 34.07 Favored 'Trans proline' 0 C--N 1.344 0.293 0 CA-C-O 121.601 0.584 . . . . 25.0 112.626 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -16.88 52.99 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.251 177.055 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.43 -50.08 15.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.05 -20.22 38.48 Favored 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 113.034 -4.177 . . . . 25.0 112.677 176.315 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -31.8 73.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.569 0.348 . . . . 25.0 111.709 177.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.85 -21.73 60.89 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.295 -0.253 . . . . 25.0 110.658 178.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 24.68 53.93 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 113.996 0.359 . . . . 25.0 113.996 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -128.23 124.86 37.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.851 0.325 . . . . 25.0 110.236 -174.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.7 mm -110.44 112.01 38.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-O 123.064 1.412 . . . . 25.0 109.654 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -156.66 162.54 39.83 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 175.394 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.52 -29.15 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 116.554 -0.294 . . . . 25.0 110.45 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -65.01 -34.43 78.41 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.072 -0.393 . . . . 25.0 110.179 179.023 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -37.83 54.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.097 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.04 -25.7 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -55.82 -47.02 77.93 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -54.21 -33.77 59.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.808 -178.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.13 -39.92 82.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 25.0 110.013 -176.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.1 -37.19 60.1 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.35 -42.23 98.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -45.11 92.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.377 -0.829 . . . . 25.0 112.021 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.38 -40.53 96.77 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.107 -0.637 . . . . 25.0 109.368 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -66.75 -43.84 83.04 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.187 -175.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -66.42 -43.18 86.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.861 0.838 . . . . 25.0 110.986 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.66 -36.57 84.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.596 -0.729 . . . . 25.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -68.59 -38.77 80.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.574 -0.284 . . . . 25.0 110.781 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.84 -36.12 83.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.088 0.471 . . . . 25.0 110.007 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -82.58 -41.88 18.98 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -175.452 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -115.14 0.14 13.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.4 1.63 . . . . 25.0 115.4 -172.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.41 -177.34 51.2 Favored Glycine 0 C--O 1.244 0.73 0 N-CA-C 116.718 1.447 . . . . 25.0 116.718 174.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.4 -15.94 34.77 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.112 1.875 . . . . 25.0 114.452 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.81 -20.18 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.15 0.5 . . . . 25.0 110.49 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -105.71 -36.45 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.46 130.82 23.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 173.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.83 153.38 22.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 114.831 -2.979 . . . . 25.0 112.1 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.35 -21.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.866 -0.521 . . . . 25.0 110.766 176.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -74.61 -17.68 60.67 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.725 -0.609 . . . . 25.0 111.207 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.8 -35.7 78.97 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 178.349 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -71.44 -33.14 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.173 0.511 . . . . 25.0 111.18 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.7 t -69.68 -44.69 69.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.67 -43.86 97.73 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.722 -0.672 . . . . 25.0 109.761 176.289 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -57.86 -37.43 73.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.852 0.358 . . . . 25.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -68.28 -34.84 76.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.411 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -62.56 -40.25 96.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.471 0.653 . . . . 25.0 110.435 178.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -80.06 -29.9 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 121.508 -0.745 . . . . 25.0 109.154 178.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -59.81 -45.74 91.42 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.494 -0.754 . . . . 25.0 109.839 178.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.11 -29.31 67.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.526 -0.734 . . . . 25.0 110.149 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.66 -45.62 74.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.44 -35.9 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 119.995 -0.682 . . . . 25.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.87 -39.06 93.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -110.87 38.77 2.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -68.29 -17.66 64.33 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.799 -0.637 . . . . 25.0 109.442 171.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.0 -30.02 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.048 177.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.52 9.07 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.438 0.637 . . . . 25.0 110.667 -178.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -125.25 84.45 59.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.47 -18.74 54.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 117.585 -1.143 . . . . 25.0 113.968 -176.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -64.84 -54.56 29.13 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 176.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -71.85 -27.15 26.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 C-N-CA 118.973 -1.091 . . . . 25.0 110.597 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -62.71 -36.66 83.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.755 -0.591 . . . . 25.0 109.854 176.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.19 70.45 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.688 -0.633 . . . . 25.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.36 43.46 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 99' ' ' VAL . 41.3 t -61.19 -48.1 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 177.441 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.51 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.773 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.64 -37.04 84.79 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -62.75 -41.91 99.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -61.33 -42.79 99.25 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.741 175.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.81 -43.89 97.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.253 0.549 . . . . 25.0 110.42 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.65 -40.34 83.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.968 -178.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.05 -37.88 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.117 -0.364 . . . . 25.0 111.017 179.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -72.15 -24.38 61.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.826 0.346 . . . . 25.0 111.033 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 t -83.47 -12.99 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 176.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.54 -168.72 1.45 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -173.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.1 t -148.74 157.22 43.29 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.289 0.566 . . . . 25.0 111.752 -175.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -95.95 4.21 52.9 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.807 -0.633 . . . . 25.0 111.572 -179.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.7 p -76.23 160.23 29.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.275 1.583 . . . . 25.0 115.275 -173.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t0 59.52 27.59 16.79 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.97 2.211 . . . . 25.0 116.97 174.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.35 -22.45 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.428 1.585 . . . . 25.0 111.574 175.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.1 63.48 3.7 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 112.357 -2.201 . . . . 25.0 113.915 -174.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -74.85 130.78 40.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.295 -0.866 . . . . 25.0 113.223 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -126.02 -57.52 1.41 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.074 1.879 . . . . 25.0 116.074 -179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.449 ' CG ' ' H ' ' A' ' 123' ' ' HIS . 3.5 t-80 53.81 -153.88 0.26 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.088 0.555 . . . . 25.0 111.791 -177.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.449 ' H ' ' CG ' ' A' ' 122' ' ' HIS . 78.5 t60 -138.82 149.21 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 -179.233 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -80.89 117.68 21.74 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 . . . . . 0 C--O 1.252 1.236 0 CA-C-O 115.851 -2.023 . . . . 25.0 106.325 -171.422 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.313 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.34 -42.37 99.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.524 -0.398 . . . . 25.0 111.324 179.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -30.03 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.905 -0.718 . . . . 25.0 110.393 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.84 -39.05 93.16 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.035 -0.415 . . . . 25.0 110.871 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -67.25 -15.54 63.76 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 175.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.07 -13.94 15.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.235 0.541 . . . . 25.0 110.615 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -80.06 85.15 5.68 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.05 -31.28 29.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -169.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.235 -0.916 . . . . 25.0 113.294 176.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.53 -39.97 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 177.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.6 -36.81 43.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.597 174.279 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.94 -49.03 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -70.6 -39.6 73.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.813 0.816 . . . . 25.0 110.36 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -23.6 66.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -178.067 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -55.59 -38.07 68.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -80.51 -39.47 27.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.845 -0.616 . . . . 25.0 110.283 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.14 96.39 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.99 -40.44 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -73.6 -44.07 58.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -176.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -65.52 -14.64 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -172.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.31 59.18 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.122 -0.361 . . . . 25.0 111.119 177.065 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.18 21.88 78.45 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.025 -0.607 . . . . 25.0 112.112 -177.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -119.34 139.07 47.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.478 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -76.92 84.86 3.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.77 147.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 175.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -104.7 165.09 11.3 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 179.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.33 -48.42 76.79 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 178.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.82 66.37 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.04 -39.16 17.1 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.944 179.141 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -74.23 -50.61 18.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.27 -19.98 65.97 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.298 -0.251 . . . . 25.0 111.361 -176.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -52.28 -41.44 62.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.168 0.509 . . . . 25.0 109.934 171.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -78.46 -23.94 46.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -70.59 -30.8 67.58 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 173.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 -29.27 45.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 121.141 0.496 . . . . 25.0 110.244 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.43 -35.07 78.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.316 178.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -65.62 -26.65 39.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 C-N-CA 120.493 -0.483 . . . . 25.0 110.543 178.607 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -66.14 -35.62 80.97 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 -175.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.68 -53.22 9.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 25.0 111.483 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -28.55 63.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.575 0.702 . . . . 25.0 112.751 -176.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -127.71 78.3 75.11 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.877 -0.602 . . . . 25.0 109.656 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.97 -14.83 32.49 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.688 0.62 . . . . 25.0 112.162 -178.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -14.59 50.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.907 176.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.98 -50.13 82.25 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 121.473 -0.767 . . . . 25.0 112.482 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.52 -23.24 27.56 Favored 'Trans proline' 0 C--N 1.356 0.97 1 C-N-CA 112.611 -4.459 . . . . 25.0 113.77 177.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.25 -27.88 64.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.59 0.218 . . . . 25.0 111.59 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.77 -20.83 65.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 176.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.41 46.36 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 116.271 1.268 . . . . 25.0 116.271 173.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.509 ' HB ' HH11 ' A' ' 55' ' ' ARG . 39.8 m -137.45 139.39 40.59 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 -172.381 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.91 118.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.164 0.983 . . . . 25.0 109.418 177.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -154.85 162.87 40.96 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -68.84 -30.15 45.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.415 179.451 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.4 -28.78 66.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.269 -0.894 . . . . 25.0 109.312 178.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.509 HH11 ' HB ' ' A' ' 50' ' ' THR . 1.9 ttm180 -78.33 -43.32 28.13 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 177.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -68.5 -34.17 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 83' ' ' TRP . 55.2 mtt180 -59.8 -42.78 94.19 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.998 -0.439 . . . . 25.0 110.662 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -57.19 -29.47 63.73 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -39.74 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.539 0.685 . . . . 25.0 109.178 178.703 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.33 54.3 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.484 -0.865 . . . . 25.0 111.313 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.33 -38.98 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.279 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.63 -45.66 89.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -36.79 80.95 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 179.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -68.42 -40.01 81.37 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.056 -177.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -72.26 -36.68 69.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.733 0.778 . . . . 25.0 110.85 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.08 -37.57 87.91 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 175.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -68.86 -36.66 78.4 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.877 176.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.86 -34.08 77.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.622 -0.674 . . . . 25.0 109.777 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -71.24 -42.38 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.103 0.779 . . . . 25.0 113.103 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.31 0.26 6.36 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 117.14 2.274 . . . . 25.0 117.14 -172.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 -165.44 53.8 Favored Glycine 0 C--O 1.244 0.775 0 C-N-CA 120.806 -0.711 . . . . 25.0 113.35 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -70.76 -7.96 22.54 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.14 1.227 . . . . 25.0 114.397 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.91 -7.85 54.75 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -118.99 -45.46 2.57 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.75 130.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 105.834 -1.913 . . . . 25.0 105.834 175.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.04 154.02 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 114.969 -2.887 . . . . 25.0 111.477 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -21.24 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.854 -0.529 . . . . 25.0 110.883 177.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.21 -20.33 60.23 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.772 -0.58 . . . . 25.0 111.262 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.74 80.32 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.729 -0.607 . . . . 25.0 109.685 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.12 -30.92 69.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 25.0 111.549 178.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -73.46 -45.08 56.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -62.95 -40.26 97.15 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.897 -0.592 . . . . 25.0 109.785 176.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.4 ' HZ2' ' HA ' ' A' ' 57' ' ' ARG . 85.5 t90 -64.01 -40.21 95.83 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.194 0.521 . . . . 25.0 110.984 -179.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.31 -26.41 68.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.03 -49.6 75.37 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.57 -30.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.415 0.626 . . . . 25.0 109.854 -178.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.8 -50.47 66.06 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.068 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.15 -23.1 61.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.232 -0.587 . . . . 25.0 111.334 -177.163 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.06 -39.96 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.486 178.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.9 mt -77.37 -38.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.78 -26.08 67.0 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.872 0.367 . . . . 25.0 110.584 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -122.54 31.78 5.99 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -56.83 -30.54 63.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.086 0.772 . . . . 25.0 113.086 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 2.4 pm0 -68.09 -24.31 65.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -173.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.62 10.95 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 178.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.16 78.21 75.74 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 121.45 0.643 . . . . 25.0 110.545 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.51 -21.16 40.5 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.413 1.274 . . . . 25.0 115.413 -173.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -65.14 -37.84 88.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -84.93 -27.53 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.009 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.198 0.523 . . . . 25.0 111.437 -175.508 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -26.28 66.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.881 -0.512 . . . . 25.0 110.41 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.32 -30.11 38.14 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 110.094 -0.335 . . . . 25.0 110.094 178.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.51 -48.86 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 176.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.59 86.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.324 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.65 -36.85 84.15 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.394 -0.522 . . . . 25.0 111.907 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.1 m -63.52 -43.27 97.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -60.75 -38.75 86.25 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.44 -0.504 . . . . 25.0 112.315 175.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -63.17 -48.27 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.699 0.761 . . . . 25.0 110.2 177.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.8 -36.98 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.546 -176.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.99 -25.46 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 -178.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -70.33 -31.36 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 25.0 111.218 176.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -83.62 -23.41 31.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.112 0.482 . . . . 25.0 111.131 176.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.59 176.52 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -177.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 m 58.96 8.33 0.96 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -176.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.05 52.5 2.33 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.66 0.743 . . . . 25.0 109.685 178.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.3 m 50.69 44.89 27.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.925 1.345 . . . . 25.0 111.607 -176.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -86.12 132.36 34.05 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.48 -1.236 . . . . 25.0 108.088 178.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.6 mt -122.2 135.32 54.75 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.327 0.584 . . . . 25.0 109.967 -176.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.46 130.74 39.42 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.014 0.911 . . . . 25.0 110.957 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -157.86 113.59 2.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.568 179.438 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -57.88 128.0 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -178.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -138.96 165.83 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 103.346 -2.835 . . . . 25.0 103.346 175.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.04 151.95 27.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.828 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -127.53 8.58 6.46 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.0 m170 . . . . . 0 C--N 1.321 -0.637 1 N-CA-C 97.997 -4.816 . . . . 25.0 97.997 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.46 0 N-CA-C 110.309 -1.117 . . . . 25.0 110.309 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.13 -35.4 80.63 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.553 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.91 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.117 0.485 . . . . 25.0 110.964 -179.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.99 -37.51 87.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.779 -0.576 . . . . 25.0 111.669 178.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.01 -15.66 62.57 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 173.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -94.66 -21.73 18.6 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.551 0.691 . . . . 25.0 110.37 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -84.26 88.73 7.25 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -50.16 -35.75 27.44 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 114.761 1.393 . . . . 25.0 114.761 -176.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -61.2 -38.82 87.92 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.574 -0.703 . . . . 25.0 111.37 177.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -70.42 -40.74 73.67 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 174.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.76 -39.38 79.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -57.37 -45.7 84.17 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.748 0.704 . . . . 25.0 111.023 178.242 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -68.18 -44.9 74.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.847 0.832 . . . . 25.0 111.13 177.091 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.75 -26.07 64.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -174.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -55.29 -45.21 76.21 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.234 -1.024 . . . . 25.0 108.234 175.119 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -76.57 -38.72 54.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.379 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.33 93.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -178.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -41.58 97.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.039 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -72.01 -38.67 69.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.459 0.911 . . . . 25.0 113.459 -175.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 t -70.77 -13.82 62.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.107 0.48 . . . . 25.0 111.645 -176.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -13.53 61.96 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.856 -0.528 . . . . 25.0 110.66 174.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.32 79.54 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.13 156.37 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -175.156 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -115.9 84.39 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.47 136.8 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.88 133.95 48.96 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 107.353 -1.351 . . . . 25.0 107.353 178.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -48.69 38.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -178.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.05 80.66 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.85 -34.68 66.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 -178.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.35 -54.25 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.185 0.517 . . . . 25.0 110.303 178.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.01 -23.02 66.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -62.07 -38.06 87.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -77.82 -23.8 48.93 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.683 -0.636 . . . . 25.0 112.145 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.34 -33.16 75.31 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 171.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.72 -25.38 53.48 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.969 -0.457 . . . . 25.0 111.529 178.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -66.57 -42.16 87.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.405 176.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.55 -34.72 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 177.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -41.75 96.55 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 111.357 0.132 . . . . 25.0 111.357 178.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -33.93 38.15 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.903 -0.719 . . . . 25.0 112.298 -177.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -74.09 -34.29 63.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.58 0.705 . . . . 25.0 110.017 179.098 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.87 80.51 49.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.079 178.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -70.26 -17.08 35.55 Favored 'Trans proline' 0 C--N 1.345 0.345 0 CA-C-O 121.606 0.586 . . . . 25.0 112.632 -178.321 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -14.57 58.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.857 176.315 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -68.71 -51.52 20.96 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 121.446 -0.784 . . . . 25.0 111.804 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -69.61 -22.83 32.19 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 113.764 -3.691 . . . . 25.0 113.703 175.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -63.74 -36.2 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.652 0.381 . . . . 25.0 111.443 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.54 -18.52 61.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.739 0.304 . . . . 25.0 111.277 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.16 58.29 Favored Glycine 0 C--O 1.218 -0.904 0 N-CA-C 114.678 0.631 . . . . 25.0 114.678 176.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -135.98 133.91 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.096 0.948 . . . . 25.0 110.321 -176.059 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 mm -115.09 114.59 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.579 1.18 . . . . 25.0 109.658 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -154.37 160.37 41.65 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.42 -1.263 . . . . 25.0 109.243 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.15 -31.68 54.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -67.32 -33.36 75.11 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 -79.94 -36.97 35.48 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.636 -0.711 . . . . 25.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -63.73 -32.82 74.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.416 178.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -60.33 -43.14 96.69 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 119.449 -0.31 . . . . 25.0 111.391 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.16 -32.08 63.98 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 175.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.21 -40.15 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.357 0.599 . . . . 25.0 109.884 -178.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.62 55.75 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.848 -0.901 . . . . 25.0 110.848 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.03 -40.73 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.824 -1.176 . . . . 25.0 107.824 176.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -44.88 95.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 25.0 111.975 178.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.31 -38.2 82.93 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.601 -0.44 . . . . 25.0 109.998 177.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.78 -43.77 71.49 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.1 -0.24 . . . . 25.0 111.071 -177.01 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -62.32 -42.33 99.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.275 0.559 . . . . 25.0 109.941 178.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -39.62 91.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.038 0.446 . . . . 25.0 110.03 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -64.21 -38.95 92.87 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.563 -0.289 . . . . 25.0 110.385 177.347 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.26 -29.79 68.67 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.915 -0.49 . . . . 25.0 111.226 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -70.05 -42.28 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -177.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.33 -3.94 6.15 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 116.345 1.98 . . . . 25.0 116.345 -174.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.23 -170.9 45.49 Favored Glycine 0 C--O 1.243 0.658 0 C-N-CA 120.553 -0.832 . . . . 25.0 113.159 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.14 -7.75 22.05 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.744 1.629 . . . . 25.0 115.663 -175.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.08 -22.8 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.485 177.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.8 -38.11 9.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -127.16 130.98 23.65 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 107.284 -1.376 . . . . 25.0 107.284 177.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.95 152.73 24.96 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 115.759 -2.361 . . . . 25.0 111.654 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.68 -22.75 31.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 O-C-N 121.763 -0.586 . . . . 25.0 110.849 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.5 t -69.68 -19.49 63.59 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.871 -0.518 . . . . 25.0 111.204 177.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.72 69.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.941 178.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -81.58 -31.12 32.72 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -177.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -68.98 -44.71 72.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.317 -1.31 . . . . 25.0 109.799 178.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.7 -43.95 91.84 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.494 176.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -55.49 -42.01 73.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 25.0 111.068 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -66.58 -28.0 68.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.821 0.675 . . . . 25.0 112.821 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.02 -41.25 82.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.485 0.659 . . . . 25.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.08 -30.95 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 178.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -56.59 -51.63 67.91 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -66.9 -26.96 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.644 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.31 -43.37 81.83 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.215 -0.303 . . . . 25.0 111.151 177.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.52 -39.1 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 178.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.89 -30.83 68.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.267 0.627 . . . . 25.0 110.832 -178.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -119.9 33.79 5.47 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.42 0.526 . . . . 25.0 112.42 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -62.98 -20.48 65.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.959 0.409 . . . . 25.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.02 -40.48 95.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.496 0.718 . . . . 25.0 112.411 -179.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.93 8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.424 0.631 . . . . 25.0 110.446 -177.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -129.02 80.43 72.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.169 179.424 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.2 -18.33 39.7 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.581 -1.146 . . . . 25.0 113.957 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.69 -42.28 95.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -84.74 -26.2 6.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 C-N-CA 119.264 -0.974 . . . . 25.0 109.899 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.3 ttp -63.44 -36.2 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -177.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.7 69.31 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.655 176.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -27.21 60.62 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 179.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.6 -47.84 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 175.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.64 79.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.45 -36.42 82.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.099 -0.24 . . . . 25.0 111.509 179.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -57.7 -44.2 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 178.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -62.07 -45.0 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.305 0.574 . . . . 25.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.14 -38.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.036 -177.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.264 -0.272 . . . . 25.0 110.381 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -66.16 -32.43 73.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.858 0.361 . . . . 25.0 110.927 178.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -71.89 -18.08 62.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.059 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.73 -8.8 30.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.33 -178.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.0 m -60.12 123.26 16.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 57.24 22.74 7.97 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 173.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 t -63.68 149.66 46.09 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.007 0.432 . . . . 25.0 109.876 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.35 -134.84 0.33 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 119.016 -0.516 . . . . 25.0 110.566 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.54 -62.81 0.09 Allowed 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 119.023 2.972 . . . . 25.0 119.023 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.14 -35.06 70.97 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 113.275 -1.784 . . . . 25.0 111.652 -179.321 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.14 19.42 7.38 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.7 -174.44 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.25 137.9 51.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -173.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.09 14.85 2.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 117.187 2.291 . . . . 25.0 117.187 176.173 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -79.02 97.84 6.24 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.85 -1.156 . . . . 25.0 111.22 179.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.6 t60 56.15 29.69 15.14 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.205 1.002 . . . . 25.0 112.645 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.253 1.272 0 N-CA-C 101.194 -3.632 . . . . 25.0 101.194 175.138 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.177 0 N-CA-C 112.212 -0.355 . . . . 25.0 112.212 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.11 -33.57 74.7 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 120.599 0.238 . . . . 25.0 111.529 178.045 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.62 -38.12 73.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.33 0.586 . . . . 25.0 110.473 178.317 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.49 -34.5 76.02 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.652 -0.655 . . . . 25.0 111.039 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -78.82 -15.13 58.77 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.116 -0.365 . . . . 25.0 111.906 174.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -85.93 -30.26 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 177.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -76.28 92.42 3.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.333 -0.849 . . . . 25.0 110.795 179.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -48.28 -36.7 14.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.76 1.393 . . . . 25.0 114.76 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.42 -35.0 73.18 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.673 0.749 . . . . 25.0 111.836 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.7 -36.26 23.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.357 -0.838 . . . . 25.0 109.781 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.37 -36.64 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.059 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -53.87 -45.2 70.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.372 0.606 . . . . 25.0 111.004 175.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.497 HE22 ' HB3' ' A' ' 101' ' ' ALA . 3.3 mt-30 -75.63 -40.12 56.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.757 179.068 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.03 -24.97 66.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.96 -30.85 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 176.058 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.76 -41.69 18.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 176.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.33 75.97 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.214 1.19 . . . . 25.0 114.214 -177.144 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.45 -40.99 96.52 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.72 -40.6 79.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.312 0.856 . . . . 25.0 113.312 -178.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -71.81 -18.87 62.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.486 0.585 . . . . 25.0 111.56 -175.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HD3' HD21 ' A' ' 89' ' ' LEU . 23.6 mmm180 -73.54 -23.88 60.05 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 121.038 -0.265 . . . . 25.0 110.575 173.813 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.99 5.0 74.11 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 111.796 -0.522 . . . . 25.0 111.796 -176.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -84.84 124.87 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.74 -1.208 . . . . 25.0 107.74 -176.487 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -80.9 84.35 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.531 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.76 148.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 25.0 109.854 176.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -79.5 156.06 27.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -44.45 90.46 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.467 175.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -39.03 80.68 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.745 0.307 . . . . 25.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -68.79 -38.94 80.32 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 -176.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -72.08 -54.13 10.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.479 . . . . 25.0 110.842 -178.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.05 -20.03 66.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.016 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.69 -40.62 69.32 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.484 0.659 . . . . 25.0 109.975 173.293 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -74.64 -23.79 58.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 122.11 -0.369 . . . . 25.0 111.814 -179.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.72 -31.17 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 173.547 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.14 -22.72 52.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.635 -0.665 . . . . 25.0 111.062 175.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -68.24 -33.8 75.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 174.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.36 -45.34 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 172.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -61.28 -36.64 80.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.351 -172.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -53.44 10.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -73.09 -26.38 61.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.559 0.695 . . . . 25.0 111.762 -177.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 59' ' ' VAL . 67.4 m -128.38 74.93 79.63 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -178.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.79 -16.83 37.61 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 118.192 -0.738 . . . . 25.0 111.74 177.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -9.43 59.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 112.678 176.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -73.18 -53.27 4.94 Favored Pre-proline 0 CA--C 1.543 0.701 0 O-C-N 121.3 -0.875 . . . . 25.0 111.032 177.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -69.51 -15.76 38.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 113.872 -3.619 . . . . 25.0 113.284 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -64.75 -38.67 91.78 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.457 0.17 . . . . 25.0 110.801 175.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.3 -34.95 73.36 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 175.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 57.53 31.1 62.87 Favored Glycine 0 C--O 1.23 -0.144 0 CA-C-N 115.302 -0.863 . . . . 25.0 113.093 178.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.8 m -128.26 130.22 47.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 -177.331 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.6 mm -105.72 107.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 123.134 1.445 . . . . 25.0 109.702 -176.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -145.82 159.37 43.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.524 -2.028 . . . . 25.0 105.524 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -67.95 -28.43 41.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -67.47 -37.14 82.46 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.284 178.547 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -72.84 -37.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 176.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -64.48 -27.59 69.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -55.23 -51.51 66.35 Favored 'General case' 0 CA--C 1.483 -1.627 0 CA-C-O 121.245 0.545 . . . . 25.0 110.088 175.692 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -52.72 -30.4 32.17 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.427 -1.715 . . . . 25.0 112.391 -175.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.411 ' HA ' ' SG ' ' A' ' 42' ' ' CYS . 44.8 t -71.71 -44.26 69.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.28 0.562 . . . . 25.0 111.772 178.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.88 -34.38 56.11 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 110.213 -1.155 . . . . 25.0 110.213 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.05 -37.65 88.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 178.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.25 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 25.0 111.336 176.155 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -64.16 -37.34 87.13 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -63.65 -46.52 85.23 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.071 0.232 . . . . 25.0 110.411 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.1 -35.36 71.79 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.1 -176.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.98 -37.9 85.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 176.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -65.42 -42.45 92.47 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.088 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -63.11 -28.96 70.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.37 0.668 . . . . 25.0 111.54 -178.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 m -68.21 -40.81 82.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 25.0 112.003 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -126.98 -47.94 1.49 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 117.968 2.581 . . . . 25.0 117.968 -176.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.22 -174.16 22.63 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 121.37 -0.443 . . . . 25.0 113.738 -175.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.03 -12.24 30.2 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.312 2.674 . . . . 25.0 115.118 -177.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -81.75 -10.97 59.21 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.124 -0.36 . . . . 25.0 110.625 177.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -99.52 -43.68 6.43 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.397 -0.365 . . . . 25.0 111.649 175.676 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.45 131.03 24.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 173.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.533 ' HB2' HG22 ' A' ' 78' ' ' THR . 88.9 Cg_endo -81.24 152.6 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 115.375 -2.616 . . . . 25.0 113.089 -179.42 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -22.38 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 122.001 -0.437 . . . . 25.0 111.418 177.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 76' ' ' PRO . 8.6 t -69.88 -24.17 63.36 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 121.575 -0.703 . . . . 25.0 111.293 177.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.38 85.73 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.948 -0.701 . . . . 25.0 110.296 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -72.36 -33.38 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 25.0 110.025 177.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.1 t -66.92 -45.09 78.98 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.8 -40.7 92.15 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.26 -38.33 71.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -67.16 -35.21 79.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 25.0 112.086 -178.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.49 -43.62 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.929 0.395 . . . . 25.0 110.045 179.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.99 -30.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.88 -51.13 70.29 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -67.1 -29.71 69.54 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.408 -0.517 . . . . 25.0 111.003 -179.198 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.572 HD22 HG11 ' A' ' 99' ' ' VAL . 28.2 mt -66.5 -39.26 88.6 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 178.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.66 -41.08 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.25 -38.81 77.63 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.281 0.562 . . . . 25.0 110.369 -177.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -115.14 35.14 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.254 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.17 -21.64 66.34 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.54 0.686 . . . . 25.0 109.663 176.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -61.45 -29.12 69.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.97 8.62 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 121.5 0.666 . . . . 25.0 110.076 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -123.21 77.87 52.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.1 -18.15 45.66 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 117.941 -0.906 . . . . 25.0 114.414 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -63.88 -50.81 67.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 177.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.572 HG11 HD22 ' A' ' 89' ' ' LEU . 3.1 m -77.49 -25.18 14.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.166 -176.449 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.3 tpt -58.21 -36.79 73.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.263 0.483 . . . . 25.0 110.299 176.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.497 ' HB3' HE22 ' A' ' 14' ' ' GLN . . . -66.51 -31.95 72.99 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.142 -0.974 . . . . 25.0 110.416 175.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.5 60.53 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.64 -48.2 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.465 -1.309 . . . . 25.0 107.465 174.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.62 82.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.447 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -65.7 -34.35 77.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.5 m -64.73 -40.54 95.5 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.25 -42.86 99.35 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.401 -0.519 . . . . 25.0 110.802 175.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -58.59 -45.92 88.05 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.008 -0.432 . . . . 25.0 110.899 178.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.25 -38.86 78.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.684 -175.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.69 -40.57 79.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.425 -0.213 . . . . 25.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.1 mmtp -71.89 -20.06 61.84 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 174.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.2 t -81.06 -12.39 59.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.311 0.577 . . . . 25.0 110.112 176.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.23 179.26 4.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.744 -1.116 . . . . 25.0 111.335 -176.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m 57.64 -157.97 0.28 Allowed 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 124.269 1.028 . . . . 25.0 110.971 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -78.56 -12.44 60.01 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.871 -1.059 . . . . 25.0 111.049 -178.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.661 HG22 ' H ' ' A' ' 117' ' ' ASP . 2.5 m 57.24 -162.16 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.399 0.68 . . . . 25.0 109.181 -177.277 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.661 ' H ' HG22 ' A' ' 116' ' ' THR . 57.7 t0 -153.85 -164.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 1 N-CA-C 99.453 -4.277 . . . . 25.0 99.453 179.344 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.1 135.62 16.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.369 1.08 . . . . 25.0 112.524 173.37 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -145.36 166.35 25.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.132 -0.94 . . . . 25.0 109.632 -178.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.8 90.51 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.173 0.511 . . . . 25.0 111.526 -174.228 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -86.68 107.13 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -178.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.59 -44.74 89.65 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.434 -0.791 . . . . 25.0 109.941 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.69 -162.88 0.13 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.469 0.708 . . . . 25.0 112.5 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -152.48 160.52 43.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 101.761 -3.422 . . . . 25.0 101.761 -179.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 105.253 -2.129 . . . . 25.0 105.253 173.894 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.321 0 N-CA-C 114.904 0.722 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -62.66 -37.16 85.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.83 -39.57 63.95 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.271 0.557 . . . . 25.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.64 -41.78 95.6 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.651 -0.656 . . . . 25.0 110.969 176.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -69.74 -11.36 60.8 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -94.9 -20.5 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.609 0.719 . . . . 25.0 109.53 178.558 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -80.86 84.21 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -53.06 -31.23 40.5 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.787 1.773 . . . . 25.0 115.787 -172.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.83 -36.33 83.19 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.447 -0.783 . . . . 25.0 111.535 177.426 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -75.17 -43.39 52.58 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.81 -40.59 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.955 176.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -46.12 80.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.653 0.381 . . . . 25.0 111.858 -179.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -37.97 70.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.188 -1.042 . . . . 25.0 108.188 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.73 -23.46 67.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -50.87 -35.62 33.66 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 174.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -82.19 -46.85 13.21 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 116.714 -0.221 . . . . 25.0 111.023 176.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.97 90.94 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.399 1.259 . . . . 25.0 114.399 -175.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -37.55 87.9 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.66 -39.98 69.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 p -68.15 -16.26 63.92 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -16.58 62.05 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.047 -0.408 . . . . 25.0 110.207 175.152 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.08 23.72 77.56 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.799 175.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -126.68 147.29 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 25.0 111.958 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.03 84.86 6.39 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.86 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.32 134.22 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 106.108 -1.812 . . . . 25.0 106.108 178.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -87.39 163.27 16.86 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.35 -42.72 87.54 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.997 -0.439 . . . . 25.0 110.953 174.538 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.93 84.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.2 0.524 . . . . 25.0 109.987 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.67 -46.54 63.03 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.22 -1.03 . . . . 25.0 108.22 -175.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.6 tp -67.75 -54.03 22.52 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.391 0.615 . . . . 25.0 112.318 -175.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.69 -19.97 65.87 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -59.01 -41.6 88.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 119.639 -0.824 . . . . 25.0 108.968 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -74.71 -25.71 59.32 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 120.383 -0.527 . . . . 25.0 112.204 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.64 -38.27 90.44 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.088 -1.079 . . . . 25.0 108.088 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.43 -34.36 75.85 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.96 0.41 . . . . 25.0 111.216 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.28 -37.11 86.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 25.0 112.339 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -66.05 -28.53 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 119.922 -0.711 . . . . 25.0 111.2 -178.909 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -64.44 -41.41 96.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.814 -0.754 . . . . 25.0 109.387 -175.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.38 -43.86 89.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.013 -0.994 . . . . 25.0 110.538 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -29.74 50.15 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.074 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 87.4 m -128.0 77.43 76.59 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.138 -0.483 . . . . 25.0 111.363 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.31 -18.81 29.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 CA-C-O 121.45 0.521 . . . . 25.0 112.405 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.81 -17.13 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.881 -0.6 . . . . 25.0 112.352 177.043 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.8 -53.14 15.99 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.371 -0.831 . . . . 25.0 111.338 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.18 -19.42 29.6 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 113.894 -3.604 . . . . 25.0 113.83 176.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.27 -40.2 93.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 25.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.86 -28.0 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.427 0.632 . . . . 25.0 109.783 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.67 0.39 8.4 Favored Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.018 1.167 . . . . 25.0 116.018 176.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 m -102.69 134.23 46.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -175.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.36 84.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 123.74 1.733 . . . . 25.0 109.476 -174.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.12 153.82 19.25 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 175.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' HE ' ' A' ' 57' ' ' ARG . 10.4 tp -67.38 -28.14 41.21 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 171.029 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.99 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.218 0.533 . . . . 25.0 110.368 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -77.94 -34.89 50.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -62.23 -28.84 69.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.258 176.258 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HE ' HG13 ' A' ' 53' ' ' ILE . 18.8 mmt85 -56.12 -47.24 78.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 175.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -67.35 -21.43 65.63 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.02 -39.2 79.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 175.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.37 60.61 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.004 -0.838 . . . . 25.0 111.004 178.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.8 -36.79 82.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -43.74 90.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.448 . . . . 25.0 111.142 179.295 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.87 -37.85 89.0 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.239 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -63.08 -45.32 92.68 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -179.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -70.99 -39.06 72.67 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.394 0.616 . . . . 25.0 111.821 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.18 -37.19 86.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.36 -38.93 78.33 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-O 121.222 0.534 . . . . 25.0 110.436 175.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.09 -35.7 80.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.212 0.53 . . . . 25.0 111.066 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -79.73 -41.28 27.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -177.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.49 2.52 10.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.062 1.875 . . . . 25.0 116.062 -173.173 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 -174.57 54.95 Favored Glycine 0 C--O 1.242 0.645 0 N-CA-C 115.344 0.898 . . . . 25.0 115.344 178.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.64 -5.4 17.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.25 1.966 . . . . 25.0 115.114 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.73 -8.74 57.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.264 0.554 . . . . 25.0 111.889 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -115.78 -34.6 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.553 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.39 131.01 24.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 173.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' THR . 79.0 Cg_endo -84.75 157.51 11.98 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 117.198 -1.401 . . . . 25.0 112.592 175.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.33 -23.04 32.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 121.684 -0.635 . . . . 25.0 111.468 176.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 76' ' ' PRO . 9.7 t -71.38 -20.84 62.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.456 -0.777 . . . . 25.0 111.736 177.512 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.01 -37.72 84.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.745 -0.782 . . . . 25.0 109.892 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.79 -32.24 69.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.527 0.679 . . . . 25.0 110.112 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.8 t -69.77 -43.87 71.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.861 -0.608 . . . . 25.0 109.537 -178.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.76 -38.44 83.45 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.089 176.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -59.21 -36.43 75.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.028 0.442 . . . . 25.0 110.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -35.31 80.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.871 -0.604 . . . . 25.0 110.866 179.472 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.91 -40.52 95.21 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.343 -0.389 . . . . 25.0 111.155 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.24 -30.35 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 121.283 -0.886 . . . . 25.0 109.019 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.29 -49.5 76.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.909 -0.494 . . . . 25.0 110.416 178.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.6 -31.59 72.71 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.87 -0.732 . . . . 25.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.63 -42.54 77.89 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.79 -40.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.754 -0.778 . . . . 25.0 109.392 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.39 -34.44 76.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.835 0.35 . . . . 25.0 110.546 -175.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -112.64 32.83 5.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.912 0.387 . . . . 25.0 111.561 178.245 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.8 -18.14 65.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.513 0.673 . . . . 25.0 109.499 176.13 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -63.37 -26.54 68.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.149 -0.932 . . . . 25.0 113.48 178.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.15 8.61 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.476 0.655 . . . . 25.0 110.059 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -126.12 83.76 62.83 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 108.394 -0.965 . . . . 25.0 108.394 179.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.26 -19.28 38.73 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 117.808 -0.995 . . . . 25.0 114.161 -175.097 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -64.86 -54.35 32.33 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 177.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 p -72.83 -28.07 26.37 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.881 -1.127 . . . . 25.0 110.697 -176.372 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -40.53 92.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.275 -0.89 . . . . 25.0 110.743 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.06 68.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.939 0.4 . . . . 25.0 110.517 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.98 49.38 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 99' ' ' VAL . 75.4 t -63.32 -48.64 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 178.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.67 96.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.245 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -63.36 -37.4 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -68.01 -37.69 81.74 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 -178.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.03 -45.3 91.06 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.568 0.622 . . . . 25.0 111.265 176.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.15 -40.3 95.5 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.558 0.694 . . . . 25.0 110.476 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.15 -41.5 87.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.685 -0.689 . . . . 25.0 110.04 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.73 -38.08 79.92 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.926 -0.484 . . . . 25.0 111.987 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -68.76 -28.37 66.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.793 0.33 . . . . 25.0 111.292 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.6 t -83.27 -40.62 19.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.357 0.598 . . . . 25.0 112.205 178.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -69.29 129.01 38.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.276 0.56 . . . . 25.0 112.325 -175.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.2 m -82.34 159.44 23.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 122.081 0.943 . . . . 25.0 109.137 174.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -83.88 89.52 7.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 109.144 175.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.2 p -73.73 152.28 40.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.509 -1.223 . . . . 25.0 110.34 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -95.31 172.89 7.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.23 -0.896 . . . . 25.0 112.391 -174.564 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 33.5 mt 59.35 -161.19 0.27 Allowed 'General case' 0 C--O 1.24 0.594 0 N-CA-C 116.12 1.896 . . . . 25.0 116.12 173.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -72.59 75.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -171.635 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -70.5 -16.02 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.749 174.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -84.5 120.49 26.39 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 176.021 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 166.17 25.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -176.722 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.74 132.13 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 173.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -102.79 -9.46 19.95 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 174.079 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.512 -0.518 0 N-CA-C 100.268 -3.975 . . . . 25.0 100.268 172.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.337 0 N-CA-C 113.056 -0.018 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -64.64 -44.5 90.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.15 -36.21 79.29 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 120.841 0.353 . . . . 25.0 110.193 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.66 -36.07 75.7 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.775 -0.578 . . . . 25.0 110.688 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -66.57 -26.57 67.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.117 1.525 . . . . 25.0 115.117 170.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -85.69 -23.76 27.28 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.437 0.637 . . . . 25.0 110.551 179.585 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -80.87 82.01 6.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -174.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.08 -33.99 20.29 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 115.503 1.668 . . . . 25.0 115.503 -171.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.38 67.19 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.17 -0.956 . . . . 25.0 112.025 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -83.02 -37.43 23.95 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.31 -38.9 57.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 173.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -62.36 -39.35 92.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 178.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -64.53 -40.25 95.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 173.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 39.2 mt -70.1 -23.49 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.24 0.829 . . . . 25.0 113.24 178.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.588 -1.634 . . . . 25.0 106.588 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -80.14 -47.27 15.01 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.142 -0.481 . . . . 25.0 110.674 175.221 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.35 -43.8 98.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -174.572 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.45 -39.95 95.85 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 178.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -67.88 -40.49 83.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 25.0 112.66 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.484 HG21 HE21 ' A' ' 98' ' ' GLN . 20.3 p -69.81 -25.84 63.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -175.15 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -14.14 59.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 119.623 -0.831 . . . . 25.0 109.968 175.232 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 16.99 77.14 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 121.393 -0.432 . . . . 25.0 113.422 176.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.62 123.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.124 0.964 . . . . 25.0 109.63 -176.199 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -83.0 84.49 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.648 -0.705 . . . . 25.0 112.01 -176.578 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.6 m -122.11 156.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -79.07 147.51 32.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -47.84 79.94 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 122.411 -0.181 . . . . 25.0 111.424 177.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.03 74.03 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.397 -0.365 . . . . 25.0 110.778 179.433 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -71.39 -32.81 68.87 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.969 -0.382 . . . . 25.0 109.969 -178.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 -54.03 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.061 -0.655 . . . . 25.0 110.874 178.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.17 -20.33 62.6 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 178.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -54.09 -38.56 65.49 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.999 -0.438 . . . . 25.0 110.079 171.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -79.59 -23.87 42.42 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.088 -0.382 . . . . 25.0 111.862 -179.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.1 -26.95 63.26 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 173.063 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.6 -31.22 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.592 0.71 . . . . 25.0 109.608 176.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -68.23 -28.15 66.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.522 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -64.79 -33.19 61.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 C-N-CA 119.4 -0.92 . . . . 25.0 108.835 176.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -67.78 -36.45 80.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -178.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.26 -32.55 72.36 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.638 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 m -97.23 -33.89 11.3 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.405 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -124.44 82.48 58.42 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -173.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.46 -12.78 29.88 Favored 'Trans proline' 0 C--N 1.344 0.31 0 CA-C-O 121.541 0.559 . . . . 25.0 111.609 177.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -9.85 53.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.725 177.793 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.39 -49.73 82.44 Favored Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 121.427 -0.795 . . . . 25.0 111.523 176.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -69.12 -19.73 38.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 114.076 -3.483 . . . . 25.0 114.309 176.338 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.85 -35.3 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.709 0.231 . . . . 25.0 110.934 178.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.53 -31.39 70.59 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.165 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.38 17.76 33.56 Favored Glycine 0 C--O 1.229 -0.188 0 N-CA-C 115.442 0.937 . . . . 25.0 115.442 174.642 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.8 m -127.63 127.39 43.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.49 98.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 123.145 1.45 . . . . 25.0 108.882 -174.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -138.95 164.44 29.7 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.987 -2.227 . . . . 25.0 104.987 179.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.09 -28.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 111.388 0.144 . . . . 25.0 111.388 -179.044 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -66.42 -35.61 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.699 -0.625 . . . . 25.0 110.33 177.119 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -78.27 -40.46 36.97 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 110.049 -0.352 . . . . 25.0 110.049 177.067 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -64.28 -31.87 73.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.692 0.282 . . . . 25.0 111.189 -179.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -61.2 -43.56 98.69 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 119.311 -0.376 . . . . 25.0 110.967 175.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -57.41 -33.36 67.79 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 111.664 0.246 . . . . 25.0 111.664 177.196 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.26 -41.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 25.0 110.263 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -36.8 61.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.568 -0.825 . . . . 25.0 111.26 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -62.74 -40.95 98.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -44.87 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.428 -0.805 . . . . 25.0 111.744 177.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -61.0 -34.01 74.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.689 -0.405 . . . . 25.0 110.386 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.51 -43.44 97.17 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.408 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.29 -36.13 66.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.607 0.718 . . . . 25.0 111.264 179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -35.95 78.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.02 -40.13 63.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.544 177.174 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.6 -39.36 93.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.08 -0.387 . . . . 25.0 111.713 -178.259 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 70' ' ' PHE . 2.1 t -85.88 -20.09 29.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -172.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.445 ' CD2' HG23 ' A' ' 69' ' ' THR . 53.8 m-85 -119.16 -11.55 9.59 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 -179.522 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.92 178.85 52.69 Favored Glycine 0 C--O 1.244 0.734 0 C-N-CA 120.884 -0.674 . . . . 25.0 114.014 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.5 -12.28 29.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.255 1.97 . . . . 25.0 115.407 -176.387 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -74.53 -30.51 61.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.221 0.534 . . . . 25.0 110.968 -178.68 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.04 -40.08 10.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.602 -178.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.09 130.8 24.5 Favored Pre-proline 0 C--O 1.22 -0.489 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 175.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.12 154.5 11.07 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 115.508 -2.528 . . . . 25.0 112.43 178.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.27 -20.49 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.688 -0.632 . . . . 25.0 110.519 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 t -73.6 -17.2 61.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.673 -0.642 . . . . 25.0 111.1 177.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.23 82.62 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.238 -0.585 . . . . 25.0 109.444 178.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.3 -31.2 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.207 0.527 . . . . 25.0 111.185 178.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -71.75 -43.82 65.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 178.422 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -64.23 -41.74 96.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.607 . . . . 25.0 110.039 176.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.03 -39.52 82.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.779 0.323 . . . . 25.0 110.503 178.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.51 -28.29 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.986 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.7 -40.8 84.3 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-O 120.976 0.417 . . . . 25.0 110.023 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.18 -31.03 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.181 -0.949 . . . . 25.0 109.402 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -56.09 -48.68 75.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.352 -0.385 . . . . 25.0 110.774 179.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.25 -30.86 70.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.776 -0.37 . . . . 25.0 110.423 -179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 99' ' ' VAL . 71.4 mt -70.58 -36.01 73.35 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.62 -42.93 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.34 -33.27 69.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.11 0.481 . . . . 25.0 110.998 -177.039 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 35.99 4.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.887 178.298 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -64.78 -20.12 66.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.413 0.625 . . . . 25.0 110.811 178.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.19 -30.28 69.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 25.0 113.304 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.4 10.33 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.561 0.696 . . . . 25.0 110.275 -179.275 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.36 78.09 61.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 178.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.62 -23.93 36.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 N-CA-C 115.527 1.318 . . . . 25.0 115.527 -173.582 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.484 HE21 HG21 ' A' ' 21' ' ' THR . 1.9 pm0 -67.22 -35.78 80.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.231 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 89' ' ' LEU . 1.8 m -84.91 -29.81 6.72 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 C-N-CA 120.118 -0.633 . . . . 25.0 110.943 177.168 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -61.21 -41.52 96.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.618 0.644 . . . . 25.0 110.179 -179.458 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.8 67.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.072 0.463 . . . . 25.0 110.434 176.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 -31.01 42.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.403 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.53 -49.64 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 176.561 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.9 96.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.42 -37.84 87.38 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.114 178.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m -67.57 -38.54 84.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.378 -0.827 . . . . 25.0 108.813 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -61.02 -39.63 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.043 -0.411 . . . . 25.0 110.574 176.294 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.91 -46.1 79.52 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.213 0.53 . . . . 25.0 111.617 177.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -34.79 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 -177.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.43 -37.54 87.69 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 177.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -71.75 -25.72 62.16 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.21 0.459 . . . . 25.0 111.23 178.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.4 t -83.43 -13.37 54.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.719 -178.019 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -93.65 146.92 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 -175.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -91.15 124.41 35.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.91 177.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.46 13.4 0.46 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.2 p -74.31 -17.24 60.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.368 0.877 . . . . 25.0 113.368 -176.095 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.2 t0 43.29 32.28 0.47 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.55 1.685 . . . . 25.0 115.55 175.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.97 141.18 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.117 0.96 . . . . 25.0 112.437 -173.749 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -91.53 148.27 22.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.209 -0.905 . . . . 25.0 110.297 178.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -117.66 0.5 12.06 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.759 0.79 . . . . 25.0 109.684 176.204 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -156.59 145.33 20.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 100.78 -3.785 . . . . 25.0 100.78 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.03 117.3 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -176.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -107.24 -42.6 4.8 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 176.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.58 -161.92 0.14 Allowed 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.006 0.816 . . . . 25.0 109.936 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.7 m80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 116.435 -1.745 . . . . 25.0 107.714 -175.223 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.471 ' H52' HD11 ' A' ' 110' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 CA-C-O 120.198 -0.223 . . . . 25.0 113.414 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.14 -37.35 87.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.494 0.647 . . . . 25.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.07 -31.37 62.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.21 0.529 . . . . 25.0 110.135 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.44 -36.69 83.19 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.73 -0.606 . . . . 25.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -26.43 66.29 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.489 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -78.23 -27.06 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.972 0.891 . . . . 25.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.15 75.48 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.841 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.13 -32.33 15.7 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.139 1.533 . . . . 25.0 115.139 -175.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -64.15 -30.45 71.51 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.419 -0.801 . . . . 25.0 112.07 178.404 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -86.05 -37.84 18.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.86 -33.22 34.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.905 175.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 4.3 tm-20 -50.8 -52.0 45.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 178.082 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.46 -28.76 67.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.764 -0.585 . . . . 25.0 111.147 178.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 35.1 mt -71.75 -23.59 61.63 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.698 -0.626 . . . . 25.0 111.966 175.737 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 52.8 mttm -60.92 -41.42 96.16 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.847 -1.908 . . . . 25.0 105.847 177.53 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.2 -46.65 40.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.388 -0.824 . . . . 25.0 111.123 176.085 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -61.69 -45.0 95.86 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -174.278 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.77 -40.84 97.66 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 178.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -66.76 -43.54 83.81 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 -178.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -69.36 -20.92 63.84 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.7 0.259 . . . . 25.0 111.7 -176.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.87 -20.23 62.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.789 0.328 . . . . 25.0 111.248 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.55 11.69 83.8 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 114.539 0.576 . . . . 25.0 114.539 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.97 131.49 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.627 0.727 . . . . 25.0 109.096 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.0 84.28 7.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.591 -175.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -101.01 135.2 38.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -65.74 135.78 55.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -47.06 65.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -176.044 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.36 86.72 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 120.798 0.332 . . . . 25.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -74.16 -26.17 60.15 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.383 -0.198 . . . . 25.0 111.183 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.66 -52.86 18.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 176.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.28 -41.94 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.334 0.588 . . . . 25.0 110.247 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -77.29 -23.7 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.883 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.98 -19.31 64.14 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 174.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -31.08 23.77 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.551 -0.718 . . . . 25.0 110.167 173.596 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.02 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -39.43 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.537 -0.727 . . . . 25.0 109.278 176.685 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -64.81 -38.01 89.53 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.06 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.28 -50.79 71.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.153 0.501 . . . . 25.0 111.922 -177.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 m -76.75 -24.89 52.97 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.435 0.636 . . . . 25.0 111.659 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -126.59 80.14 70.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.791 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.51 -9.14 24.64 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-O 122.0 0.75 . . . . 25.0 112.212 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.33 -9.97 48.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.69 175.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.04 -48.54 27.59 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.763 -0.586 . . . . 25.0 111.492 177.763 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -69.41 -20.93 35.83 Favored 'Trans proline' 0 C--N 1.358 1.027 1 C-N-CA 112.529 -4.514 . . . . 25.0 112.863 174.355 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.39 -37.21 74.48 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -78.17 -18.94 54.9 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.837 -0.539 . . . . 25.0 110.013 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.91 19.75 30.93 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 116.846 1.498 . . . . 25.0 116.846 170.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 m -130.86 134.07 46.47 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 -174.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.4 mt -124.48 103.11 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 122.522 1.153 . . . . 25.0 110.503 -171.497 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -144.3 163.49 33.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.433 -2.062 . . . . 25.0 105.433 174.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 tp -62.07 -28.81 45.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.435 0.16 . . . . 25.0 111.241 -176.617 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.95 -38.43 85.83 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.976 -0.452 . . . . 25.0 110.807 177.045 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -85.56 -36.02 20.71 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 120.689 0.28 . . . . 25.0 110.79 179.167 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -62.71 -30.23 71.26 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 179.462 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -61.4 -40.67 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.055 -0.403 . . . . 25.0 110.835 176.908 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.52 -31.4 66.01 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.999 0.74 . . . . 25.0 112.999 176.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.36 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.32 73.49 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 178.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.87 -38.57 91.43 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 177.459 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -42.78 95.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.064 177.473 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.55 -37.46 86.23 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.72 -39.78 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.301 -0.159 . . . . 25.0 111.128 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.16 -44.58 83.66 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.951 0.881 . . . . 25.0 109.176 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.2 -39.24 94.06 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.209 178.177 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.53 -44.08 75.35 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 113.134 0.791 . . . . 25.0 113.134 178.59 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -30.7 70.08 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.922 0.783 . . . . 25.0 112.373 -171.461 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -61.54 -40.84 96.15 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.407 0.891 . . . . 25.0 113.407 178.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -127.35 -1.85 6.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.825 2.158 . . . . 25.0 116.825 -174.139 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.82 -153.18 45.24 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 -174.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.75 -5.62 17.25 Favored 'Trans proline' 0 C--N 1.346 0.424 0 CA-C-N 118.499 1.15 . . . . 25.0 114.311 -178.227 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.28 -17.87 64.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -179.21 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -39.6 3.45 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.44 130.84 24.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 174.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.05 151.54 39.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 114.674 -3.084 . . . . 25.0 111.151 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.14 -20.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 121.774 -0.579 . . . . 25.0 110.938 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -72.58 -21.15 61.19 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.721 -0.612 . . . . 25.0 111.216 176.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.45 83.5 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 119.911 -0.716 . . . . 25.0 109.278 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -71.59 -30.22 65.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.108 0.48 . . . . 25.0 110.788 177.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -72.18 -45.34 60.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -60.05 -44.66 94.52 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.185 175.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -60.48 -41.22 93.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -64.1 -30.88 71.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.117 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 25.0 109.928 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.83 -30.44 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -57.92 -45.2 86.89 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.977 -0.452 . . . . 25.0 111.43 -178.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.4 -28.41 62.97 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.673 -179.521 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.6 -39.55 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.34 -0.225 . . . . 25.0 111.462 179.443 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.1 mt -73.52 -40.47 55.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.263 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.41 -32.13 72.92 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.801 0.334 . . . . 25.0 110.765 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -115.68 36.26 4.07 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.781 178.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -61.31 -22.44 64.88 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.169 0.509 . . . . 25.0 110.869 178.276 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.49 -27.92 69.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.934 1.087 . . . . 25.0 113.934 -179.355 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.55 8.95 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.564 0.697 . . . . 25.0 110.055 179.537 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -125.75 77.96 69.54 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.71 -22.94 27.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 117.358 -1.295 . . . . 25.0 115.182 -174.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -39.19 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 179.58 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -81.87 -31.22 10.58 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.425 0 C-N-CA 119.605 -0.838 . . . . 25.0 109.434 178.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -40.71 94.53 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.868 0.758 . . . . 25.0 111.039 179.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.63 -30.28 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.92 0.39 . . . . 25.0 110.391 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.29 -33.64 63.29 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.369 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.51 -47.08 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.36 -46.91 84.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.05 -35.68 79.33 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 179.233 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -67.15 -40.07 86.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -61.88 -40.17 94.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.726 -0.609 . . . . 25.0 111.2 175.366 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -61.62 -45.14 95.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.938 0.399 . . . . 25.0 110.475 179.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -67.47 -41.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.038 -178.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD11 ' H52' ' A' ' 1' ' ' MYR . 4.0 mp -62.28 -37.6 86.15 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.981 -0.449 . . . . 25.0 110.888 -179.703 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -78.21 -21.51 49.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 179.221 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -83.52 -33.78 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.035 0.445 . . . . 25.0 110.256 178.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.57 147.35 52.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.37 0.605 . . . . 25.0 109.983 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.7 m -136.26 156.29 48.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 54.25 39.61 30.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 122.241 1.019 . . . . 25.0 109.684 -176.294 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 m -71.97 128.26 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.896 -1.047 . . . . 25.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t0 65.75 173.24 0.23 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.282 1.216 . . . . 25.0 114.282 177.851 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -116.47 151.48 35.99 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 113.729 1.011 . . . . 25.0 113.729 -173.359 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 49.71 34.4 7.35 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 174.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.54 64.77 2.93 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 171.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.91 79.88 2.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.754 0.788 . . . . 25.0 110.892 -175.399 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -70.07 52.97 0.13 Allowed 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -176.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -104.51 117.1 33.32 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.305 0.642 . . . . 25.0 110.883 -177.647 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -151.52 -177.02 5.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.378 -2.453 . . . . 25.0 104.378 179.06 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 102.979 -2.971 . . . . 25.0 102.979 174.542 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.477 0 N-CA-C 112.958 -0.057 . . . . 25.0 112.958 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -70.87 -28.04 64.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.968 -0.725 . . . . 25.0 109.988 -178.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.43 -43.77 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.673 0.749 . . . . 25.0 109.679 176.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.14 -36.37 77.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.66 -0.7 . . . . 25.0 111.29 176.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -62.05 -10.86 11.19 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 175.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.1 -20.26 18.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.24 0.473 . . . . 25.0 111.094 178.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -80.75 92.18 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.9 -36.19 47.96 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 114.702 1.371 . . . . 25.0 114.702 -173.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.59 -34.43 75.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.335 0.588 . . . . 25.0 112.381 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -83.21 -39.79 20.49 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 178.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.51 -38.86 51.04 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.614 -0.721 . . . . 25.0 109.535 174.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -61.2 -38.26 85.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -67.1 -38.27 85.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.828 -0.749 . . . . 25.0 109.116 175.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 42.8 mt -69.75 -23.69 63.42 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 176.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.22 -35.03 76.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 177.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -83.9 -46.51 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.405 -0.361 . . . . 25.0 111.484 175.514 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -59.91 -40.99 90.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -173.641 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.1 -37.25 86.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 179.221 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -70.49 -43.85 68.86 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 179.452 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.9 p -68.96 -12.4 61.61 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -175.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -24.15 63.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 174.203 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 22.2 76.92 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 121.123 -0.561 . . . . 25.0 113.53 178.185 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.34 151.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 -178.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -80.91 84.91 6.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.416 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.24 152.97 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -104.78 145.0 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -178.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -50.99 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.09 77.9 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.247 -177.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -73.9 -36.4 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.619 0.229 . . . . 25.0 111.619 -178.088 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.79 -53.29 56.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.45 -21.49 66.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 178.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -65.09 -30.9 71.88 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.093 -1.004 . . . . 25.0 110.349 176.122 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -79.77 -23.82 41.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.123 -0.361 . . . . 25.0 111.12 176.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -73.08 -30.67 63.86 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 175.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.02 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 25.0 110.358 177.778 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -64.2 -25.34 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.209 178.257 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -47.42 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 174.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -67.05 -43.56 82.42 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.963 -169.161 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.92 -21.64 60.86 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 -175.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -95.41 -32.97 12.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 25.0 111.317 176.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 77.66 73.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 123.469 0.708 . . . . 25.0 109.886 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.63 -19.94 36.08 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 117.846 -0.969 . . . . 25.0 112.136 -178.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.37 -16.42 60.38 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.274 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.92 -51.08 20.09 Favored Pre-proline 0 N--CA 1.467 0.406 0 O-C-N 121.42 -0.8 . . . . 25.0 113.037 -176.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.52 -20.67 47.34 Favored 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 113.184 -4.077 . . . . 25.0 113.474 177.796 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.07 -15.74 63.04 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.924 0.342 . . . . 25.0 111.924 178.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.6 -20.59 56.6 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.951 -0.468 . . . . 25.0 110.427 176.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.08 16.37 40.49 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 114.671 0.628 . . . . 25.0 114.671 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.9 m -139.29 134.14 32.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -174.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.09 100.8 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 122.81 1.291 . . . . 25.0 109.531 -176.146 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 158.09 44.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 104.73 -2.322 . . . . 25.0 104.73 176.846 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.43 -29.66 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -173.153 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -72.52 -32.22 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -78.13 -36.19 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -62.98 -26.91 69.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.327 177.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -54.43 -45.58 73.06 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -53.06 -34.01 54.58 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -177.718 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.29 -40.52 82.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.604 . . . . 25.0 110.178 -177.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.65 -33.69 41.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.019 -179.32 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.53 -39.72 94.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.17 -45.26 92.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.656 178.001 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.43 -40.24 90.35 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -67.36 -43.41 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.307 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.0 -46.16 90.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.48 . . . . 25.0 109.745 179.412 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.302 0.572 . . . . 25.0 110.219 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.82 -39.08 93.0 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.86 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -34.94 70.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.756 -0.59 . . . . 25.0 109.611 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.5 m -65.7 -46.21 79.86 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 179.218 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 2.41 6.39 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 119.052 2.982 . . . . 25.0 119.052 -173.134 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.97 179.42 48.83 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 116.871 1.509 . . . . 25.0 116.871 175.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -70.19 -9.64 26.41 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.397 2.731 . . . . 25.0 115.307 -176.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.5 -20.04 60.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.033 0.444 . . . . 25.0 111.239 177.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -108.59 -36.99 6.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.345 -171.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.64 131.09 24.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 168.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HB2' HG22 ' A' ' 78' ' ' THR . 94.9 Cg_endo -82.48 152.06 15.43 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 115.62 -2.454 . . . . 25.0 113.14 -179.278 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.85 -22.93 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.857 -0.527 . . . . 25.0 111.734 177.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 76' ' ' PRO . 1.6 t -70.15 -24.91 63.24 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.584 -0.698 . . . . 25.0 111.157 178.29 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.95 79.67 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 120.203 -0.599 . . . . 25.0 110.69 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -70.4 -33.84 71.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.563 0.697 . . . . 25.0 110.685 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.417 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.8 m-85 -67.63 -39.28 84.66 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.228 176.221 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -59.15 -39.82 83.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.067 0.46 . . . . 25.0 110.71 178.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -66.58 -28.56 68.61 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tt -64.74 -47.4 78.37 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 82' ' ' TYR . 2.6 mp -71.78 -32.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 -179.204 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -56.82 -47.37 80.45 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.28 -24.76 54.46 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.871 -1.132 . . . . 25.0 110.918 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.84 -43.6 95.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 122.181 -0.324 . . . . 25.0 111.712 174.159 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.49 -42.84 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.79 -31.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.442 0.639 . . . . 25.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -110.98 23.55 14.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.772 -179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -59.38 -28.16 66.63 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -175.317 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -74.01 -16.7 61.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -171.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -113.43 8.35 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.51 0.671 . . . . 25.0 109.684 175.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -129.91 78.04 75.68 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.347 178.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.14 -23.39 45.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 N-CA-C 115.81 1.427 . . . . 25.0 115.81 -173.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -67.39 -35.12 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.654 -0.654 . . . . 25.0 109.583 178.379 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.08 6.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 120.421 -0.511 . . . . 25.0 110.46 177.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 ttp -62.51 -39.05 92.29 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.854 -0.529 . . . . 25.0 111.505 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.78 68.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 177.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.26 -34.89 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.118 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.62 -52.7 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.021 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.09 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.192 -178.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.78 -37.99 89.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.202 -0.599 . . . . 25.0 111.633 178.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -68.47 -39.72 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.777 -0.769 . . . . 25.0 108.943 -178.743 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.64 -41.34 90.27 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 121.28 -0.168 . . . . 25.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.88 -37.81 70.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.06 -35.55 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 178.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.39 -22.8 67.1 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.32 -22.43 62.82 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.085 0.402 . . . . 25.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -83.48 -12.55 56.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.246 0.546 . . . . 25.0 111.327 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.13 168.86 10.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.491 -0.777 . . . . 25.0 112.69 -173.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 m -141.01 -167.89 2.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 -178.606 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.64 -35.92 75.35 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 174.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 m 47.94 45.03 18.97 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 123.127 1.442 . . . . 25.0 113.251 174.743 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -84.81 135.29 34.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.882 -1.508 . . . . 25.0 107.349 176.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -158.49 -179.42 8.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.993 -1.854 . . . . 25.0 105.993 -174.617 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -67.61 68.05 0.1 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.52 1.304 . . . . 25.0 114.52 179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 111.47 1.29 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 174.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.95 -5.14 8.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.431 1.641 . . . . 25.0 115.431 -171.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t60 48.67 35.05 5.66 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.466 2.025 . . . . 25.0 116.466 164.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.4 3.92 1.55 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 117.851 2.537 . . . . 25.0 117.851 -172.007 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 47.93 -104.57 0.12 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 118.244 -0.884 . . . . 25.0 110.356 -170.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 . . . . . 0 C--O 1.253 1.243 0 CA-C-O 115.078 -2.392 . . . . 25.0 107.097 -174.366 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.179 0 N-CA-C 111.177 -0.769 . . . . 25.0 111.177 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -68.96 -39.18 79.65 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.521 -0.399 . . . . 25.0 109.998 177.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -33.6 75.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 25.0 109.987 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.7 -40.84 61.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.211 -0.306 . . . . 25.0 110.762 178.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -59.98 -29.19 68.28 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.662 0.616 . . . . 25.0 112.662 172.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -84.35 -19.09 34.22 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.127 -0.358 . . . . 25.0 111.876 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -83.2 90.89 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.893 -0.504 . . . . 25.0 110.962 -178.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -40.63 29.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.971 1.471 . . . . 25.0 114.971 -175.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -62.36 -36.99 83.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.009 0.744 . . . . 25.0 113.009 179.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -78.88 -37.94 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 179.43 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.03 -37.91 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.532 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -59.74 -44.17 93.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 122.059 -0.401 . . . . 25.0 111.46 178.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.51 76.53 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.71 -23.47 66.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -179.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -62.19 -23.3 66.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 176.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -83.74 -54.3 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 173.108 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.19 87.53 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.968 1.469 . . . . 25.0 114.968 -174.123 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -37.41 83.03 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 178.722 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.43 -36.15 58.13 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -179.335 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -67.3 -25.51 66.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.553 0.615 . . . . 25.0 112.135 -176.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.33 59.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.453 -0.499 . . . . 25.0 109.696 175.001 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.07 14.83 82.21 Favored Glycine 0 C--O 1.231 -0.08 0 N-CA-C 111.294 -0.722 . . . . 25.0 111.294 -178.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -85.07 121.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.027 0.918 . . . . 25.0 109.122 -177.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -86.2 84.74 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.51 -177.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.28 159.11 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.8 161.25 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.95 -38.12 81.54 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.902 -0.499 . . . . 25.0 110.142 174.371 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.58 78.3 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.046 0.45 . . . . 25.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -72.66 -38.0 67.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.339 -175.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -54.18 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -175.473 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.93 -21.56 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -53.69 -38.08 63.86 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.232 0.539 . . . . 25.0 110.501 173.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.44 -23.9 39.95 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.654 0.612 . . . . 25.0 112.654 -178.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.9 -34.47 77.85 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 173.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -37.17 82.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 25.0 110.312 -179.374 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.19 -38.68 92.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.889 -0.596 . . . . 25.0 112.557 -179.027 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -26.52 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 121.802 -0.562 . . . . 25.0 111.295 -178.725 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -62.76 -36.08 81.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.972 -0.381 . . . . 25.0 109.972 -176.139 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -72.85 -52.82 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.765 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -26.77 65.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.707 0.765 . . . . 25.0 112.883 -176.462 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 88.5 m -129.35 78.0 76.55 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.894 178.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.36 -18.62 29.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-O 121.581 0.575 . . . . 25.0 112.777 -178.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -19.33 59.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.704 176.514 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.54 -53.58 28.7 Favored Pre-proline 0 CA--C 1.544 0.73 0 O-C-N 121.676 -0.64 . . . . 25.0 111.522 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.42 -24.28 22.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 113.941 -3.572 . . . . 25.0 113.693 175.326 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.24 -43.39 95.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 25.0 111.432 -178.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -80.89 -19.56 44.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 25.0 110.089 178.795 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.79 31.92 73.05 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 121.394 -0.431 . . . . 25.0 113.807 174.811 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m -125.84 128.92 48.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.546 0.673 . . . . 25.0 109.563 -175.648 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -122.75 104.17 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.563 1.173 . . . . 25.0 110.519 -173.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -146.59 161.4 40.59 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 176.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -60.35 -39.09 79.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 119.294 -0.384 . . . . 25.0 111.515 -175.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -60.69 -29.07 69.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.543 0.61 . . . . 25.0 112.098 -179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -83.03 -36.96 24.55 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 122.409 -0.182 . . . . 25.0 110.593 175.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -64.67 -29.03 70.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -59.73 -47.21 86.55 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.767 0.794 . . . . 25.0 109.28 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.84 -31.0 64.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 113.842 -1.526 . . . . 25.0 113.313 177.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.71 -37.24 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.82 -37.17 61.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.539 178.338 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -64.41 -34.8 79.01 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 175.864 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -45.27 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.647 0.261 . . . . 25.0 110.831 177.025 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.38 -36.71 84.79 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.746 177.774 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -66.32 -41.29 89.88 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.006 -177.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -72.51 -37.22 68.42 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.553 0.692 . . . . 25.0 110.82 -179.222 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.03 -38.17 90.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 175.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.0 -36.12 77.46 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.812 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.39 -35.4 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.716 -0.615 . . . . 25.0 109.675 178.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 m -76.63 -42.87 40.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.854 0.686 . . . . 25.0 112.854 -176.687 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -123.42 1.78 9.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -172.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.07 -171.56 52.35 Favored Glycine 0 C--O 1.245 0.823 0 N-CA-C 115.318 0.887 . . . . 25.0 115.318 177.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.26 -8.07 22.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.655 1.57 . . . . 25.0 113.059 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -69.19 -17.47 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.997 179.358 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -116.36 -43.75 2.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -178.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.51 131.01 22.52 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.106 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.9 151.67 21.59 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 115.184 -2.744 . . . . 25.0 111.509 177.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.55 -20.63 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 O-C-N 121.781 -0.574 . . . . 25.0 110.918 177.599 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -74.01 -18.86 60.8 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.592 -0.692 . . . . 25.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.66 84.41 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 119.914 -0.715 . . . . 25.0 109.168 178.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.09 -31.35 67.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.288 0.566 . . . . 25.0 110.856 178.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -70.99 -45.39 64.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.912 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -59.42 -37.5 78.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.478 -0.328 . . . . 25.0 111.572 179.522 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -64.16 -32.18 73.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.43 -38.81 91.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.102 0.477 . . . . 25.0 111.213 178.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.46 -32.08 21.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 177.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -59.21 -46.4 88.54 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.775 -0.578 . . . . 25.0 109.946 179.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -70.41 -29.53 66.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.296 0.498 . . . . 25.0 110.639 -179.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -54.78 42.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 25.0 110.21 175.193 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.08 -36.5 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.367 -175.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.52 -33.22 67.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.53 0.205 . . . . 25.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -118.77 31.42 6.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 179.156 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -66.52 -23.19 66.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.288 0.566 . . . . 25.0 109.914 176.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 94' ' ' GLU . 5.6 pt-20 -60.78 -28.28 68.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -179.37 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.87 11.43 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.086 0.47 . . . . 25.0 111.255 -176.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -130.79 100.02 17.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.607 -0.27 . . . . 25.0 111.493 -177.145 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.67 -27.23 27.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -176.554 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -64.58 -38.41 90.93 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -72.66 -50.85 31.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.97 178.636 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -62.32 -32.69 73.48 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.256 -0.278 . . . . 25.0 111.022 -173.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.62 80.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 122.006 -0.434 . . . . 25.0 110.567 174.517 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.86 -37.89 67.24 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.11 -52.92 54.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 -178.897 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.83 98.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.245 0.341 . . . . 25.0 110.148 -178.479 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.52 -39.59 94.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 120.62 -0.432 . . . . 25.0 111.759 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.4 m -69.66 -35.74 75.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.771 -0.772 . . . . 25.0 109.297 -178.459 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -61.06 -40.84 95.2 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 122.025 -0.422 . . . . 25.0 110.361 175.238 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.07 -46.38 77.92 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.166 0.508 . . . . 25.0 111.53 176.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.81 -40.01 87.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.797 -175.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -37.71 88.38 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.921 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -73.86 -31.47 63.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.0 t -83.28 -49.01 9.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.183 0.516 . . . . 25.0 111.64 -179.472 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.05 -8.67 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 118.848 2.907 . . . . 25.0 118.848 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.0 t -154.55 147.55 24.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.413 -0.804 . . . . 25.0 110.921 176.53 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -98.96 38.71 1.35 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 175.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.4 m 53.83 43.86 30.36 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 -179.154 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -159.12 168.01 27.71 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 104.775 -2.306 . . . . 25.0 104.775 171.387 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.46 134.3 55.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.924 0.869 . . . . 25.0 112.336 -177.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -68.28 145.54 54.14 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.542 -1.208 . . . . 25.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.69 7.85 1.16 Allowed 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.282 1.216 . . . . 25.0 114.282 177.223 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -67.81 114.39 6.36 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -74.16 72.73 1.73 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.708 0.766 . . . . 25.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.5 118.68 9.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.467 -0.788 . . . . 25.0 109.773 -177.382 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 155.07 41.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 172.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 . . . . . 0 C--O 1.255 1.343 1 N-CA-C 99.626 -4.212 . . . . 25.0 99.626 176.351 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.139 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -67.75 -36.76 81.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.425 -0.456 . . . . 25.0 111.233 179.443 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.49 -30.82 47.43 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 119.554 -0.858 . . . . 25.0 110.086 178.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.68 -41.04 98.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.894 -0.503 . . . . 25.0 111.028 178.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -13.56 18.68 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.555 1.317 . . . . 25.0 114.555 176.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -122.89 24.09 9.14 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.839 0.828 . . . . 25.0 110.377 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -115.31 85.54 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.28 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -50.59 -37.33 39.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -55.41 -38.09 68.48 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.052 0.842 . . . . 25.0 111.596 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -81.07 -36.06 30.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 25.0 109.881 -179.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.96 -39.73 80.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.546 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.76 -42.28 88.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.878 0.763 . . . . 25.0 111.522 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.24 -41.02 99.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 177.663 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 10.9 mt -71.78 -23.75 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 179.491 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.99 -35.86 77.93 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 178.371 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.71 -45.56 13.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.644 176.312 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -60.0 -40.0 87.71 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.074 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.34 -37.16 77.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -73.84 -26.35 60.54 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 179.534 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.5 p -63.36 -28.3 69.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.923 0.783 . . . . 25.0 113.03 -175.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -6.89 50.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.96 0.41 . . . . 25.0 110.982 179.051 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.18 3.81 57.94 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 114.266 0.466 . . . . 25.0 114.266 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -80.76 106.48 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -81.95 84.5 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.071 -176.399 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 176.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -73.6 147.84 43.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.248 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -47.89 76.24 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 111.485 0.18 . . . . 25.0 111.485 177.552 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.51 74.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 120.754 0.312 . . . . 25.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -53.66 8.69 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.189 -0.604 . . . . 25.0 111.409 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.89 -19.98 61.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 178.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -55.15 -39.13 69.13 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.862 -0.524 . . . . 25.0 110.403 172.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -79.36 -23.91 43.05 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.959 -0.463 . . . . 25.0 111.64 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -70.68 -22.24 62.49 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.71 -34.61 22.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.786 -0.571 . . . . 25.0 110.491 177.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.16 -33.88 74.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.74 -32.49 54.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 121.743 -0.598 . . . . 25.0 110.541 177.391 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -63.69 -32.6 74.14 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.891 -0.506 . . . . 25.0 112.079 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.1 -53.48 20.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.177 0.513 . . . . 25.0 110.666 178.74 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.73 -28.94 58.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -175.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.01 78.95 58.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -69.29 -15.53 38.92 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 118.262 -0.692 . . . . 25.0 112.077 177.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.352 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -65.13 -51.56 54.01 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 121.437 -0.79 . . . . 25.0 111.554 178.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -70.84 -20.1 30.15 Favored 'Trans proline' 0 C--N 1.358 1.045 1 C-N-CA 113.083 -4.144 . . . . 25.0 113.481 176.347 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.6 -39.36 93.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.731 0.301 . . . . 25.0 111.37 179.249 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -67.98 -23.53 65.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 121.022 -0.271 . . . . 25.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.81 57.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.805 -0.236 . . . . 25.0 113.321 176.199 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -133.42 129.66 37.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.896 -1.15 . . . . 25.0 107.896 -173.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.9 mt -124.99 112.51 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.782 1.277 . . . . 25.0 109.683 -178.055 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -152.08 169.0 23.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 103.106 -2.924 . . . . 25.0 103.106 179.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -30.2 49.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 118.157 0.435 . . . . 25.0 110.957 178.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -67.59 -31.59 71.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.757 -0.589 . . . . 25.0 110.425 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -81.24 -39.84 24.7 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.207 0.527 . . . . 25.0 109.591 178.439 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 25.0 111.565 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.77 -36.9 80.1 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.147 -0.454 . . . . 25.0 111.181 176.111 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -53.78 -36.05 62.0 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 120.788 0.328 . . . . 25.0 111.434 176.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.41 -40.29 79.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.154 0.502 . . . . 25.0 110.674 -175.014 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -37.9 70.03 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.965 -1.254 . . . . 25.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.06 -41.9 98.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 177.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.88 91.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.592 179.427 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.43 -38.81 91.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 179.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -66.79 -41.58 87.39 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.874 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.65 -38.85 77.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.508 0.67 . . . . 25.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 176.767 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -67.65 -34.08 76.23 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.499 -0.318 . . . . 25.0 110.579 175.73 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.53 -32.59 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 177.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.0 m -81.12 -43.59 19.19 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -176.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -123.26 5.73 9.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.457 1.651 . . . . 25.0 115.457 -174.222 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.27 -168.88 47.57 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 116.043 1.177 . . . . 25.0 116.043 174.752 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -61.67 -16.37 48.02 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.798 2.998 . . . . 25.0 115.301 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.71 -35.99 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -175.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -91.47 -43.41 9.72 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.487 178.458 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.62 130.85 23.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 105.879 -1.897 . . . . 25.0 105.879 174.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.43 155.82 14.26 Favored 'Trans proline' 0 CA--C 1.517 -0.339 0 C-N-CA 115.827 -2.316 . . . . 25.0 111.905 177.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.24 -21.72 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.77 -0.581 . . . . 25.0 110.914 176.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -73.5 -19.94 60.8 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.509 -0.745 . . . . 25.0 111.335 177.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.34 83.61 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 179.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -70.09 -34.08 72.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.217 0.532 . . . . 25.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -69.26 -44.09 72.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.87 -0.789 . . . . 25.0 108.87 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -64.56 -44.0 92.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.792 -0.64 . . . . 25.0 109.398 176.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -58.03 -40.1 80.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.415 -0.357 . . . . 25.0 111.713 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.43 -30.69 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.463 -179.393 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.07 -45.09 82.53 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.94 -31.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.513 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -58.61 -45.32 89.43 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 119.0 -0.524 . . . . 25.0 109.996 179.408 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -27.95 62.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 119.109 0.868 . . . . 25.0 111.125 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -41.29 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.139 -0.224 . . . . 25.0 110.748 176.798 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.85 -39.23 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.808 -0.357 . . . . 25.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -57.24 -33.62 67.75 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.837 0.351 . . . . 25.0 110.868 -178.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -120.33 33.57 5.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.226 0.536 . . . . 25.0 111.994 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -66.53 -19.13 65.71 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.181 0.515 . . . . 25.0 110.366 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.62 -31.39 72.54 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.26 7.47 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.647 0.737 . . . . 25.0 109.869 179.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -126.97 79.77 72.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.496 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.01 -18.77 46.21 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 117.489 -1.207 . . . . 25.0 113.957 -176.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.62 -44.91 89.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 179.475 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -81.91 -29.02 9.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 C-N-CA 120.087 -0.645 . . . . 25.0 110.504 -179.796 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -60.02 -40.76 90.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.453 0.57 . . . . 25.0 110.241 179.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.019 -0.426 . . . . 25.0 110.59 176.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.65 -34.35 60.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.227 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.65 -49.16 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 177.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.41 98.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.388 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.69 -36.2 83.06 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 178.004 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.6 m -66.95 -38.56 86.35 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.3 -35.3 79.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 119.083 -0.484 . . . . 25.0 111.439 176.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.14 -47.81 81.12 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.579 0.704 . . . . 25.0 110.221 176.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.2 mt -64.1 -32.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.502 -0.772 . . . . 25.0 109.909 -176.077 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.38 -27.46 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -81.58 -20.21 40.33 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.826 -0.546 . . . . 25.0 111.588 176.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.0 t -80.82 -15.45 56.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.514 0.673 . . . . 25.0 109.26 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 164.85 22.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 176.482 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -71.39 82.14 0.78 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -178.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -73.24 -34.65 66.0 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.742 1.016 . . . . 25.0 113.742 -178.369 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p 55.24 -178.15 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.498 2.036 . . . . 25.0 116.498 -178.299 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -83.27 -22.04 33.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.203 1.001 . . . . 25.0 112.623 -175.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt 60.58 143.65 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 117.984 2.587 . . . . 25.0 117.984 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -55.99 121.82 10.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.054 -1.43 . . . . 25.0 112.133 -176.035 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.1 m80 36.12 44.71 0.28 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.452 1.101 . . . . 25.0 113.871 -177.75 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.16 56.26 0.79 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.296 1.591 . . . . 25.0 115.296 -176.091 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -76.72 52.77 0.85 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -179.168 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.24 146.52 25.49 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 177.033 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -118.12 6.02 12.03 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.878 0.695 . . . . 25.0 112.878 -179.189 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.839 0 N-CA-C 103.899 -2.63 . . . . 25.0 103.899 177.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.182 0 N-CA-C 114.093 0.397 . . . . 25.0 114.093 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.66 -42.6 77.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.16 -0.612 . . . . 25.0 110.098 -174.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -71.35 -30.49 66.23 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.302 -178.738 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.52 -38.93 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.984 -0.448 . . . . 25.0 110.401 176.132 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.52 -8.11 31.22 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.402 0.89 . . . . 25.0 113.402 175.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -108.8 -13.3 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 25.0 111.282 179.405 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -81.06 94.17 6.54 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 122.107 -0.37 . . . . 25.0 110.179 -178.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -43.66 -44.92 6.68 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.855 1.798 . . . . 25.0 115.855 -173.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.8 -34.18 74.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.521 0.676 . . . . 25.0 112.105 -178.171 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -83.75 -39.83 19.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.256 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.3 -41.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.729 177.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.61 -43.66 93.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.994 0.816 . . . . 25.0 111.572 178.771 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.45 -41.54 96.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 178.216 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.48 -23.62 65.51 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 179.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.05 -33.45 75.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -83.87 -45.2 13.5 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.46 -0.336 . . . . 25.0 110.297 177.349 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.09 96.44 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.488 1.292 . . . . 25.0 114.488 -176.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.79 88.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.116 -1.068 . . . . 25.0 108.116 176.647 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.34 -43.62 85.55 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 p -68.63 -18.67 64.34 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -177.614 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -21.56 61.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.094 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.05 22.54 78.77 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.023 -0.608 . . . . 25.0 113.604 176.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.26 143.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.58 . . . . 25.0 110.085 -176.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -83.19 84.44 7.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 25.0 110.166 -178.1 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -131.5 132.77 62.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -79.0 158.74 27.88 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.03 -46.28 78.88 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 121.937 -0.477 . . . . 25.0 110.484 173.88 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.67 76.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -67.7 -43.46 80.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -176.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.58 -55.3 10.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.316 0.579 . . . . 25.0 111.78 -177.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.0 -19.83 65.47 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.301 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -60.17 -32.0 70.64 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 119.961 -0.696 . . . . 25.0 110.623 173.278 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.9 -23.81 36.06 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.571 -0.705 . . . . 25.0 111.776 178.315 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.36 -25.65 65.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 169.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.65 -22.78 37.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.153 0.501 . . . . 25.0 111.258 176.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -71.94 -41.28 68.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.809 -0.557 . . . . 25.0 109.732 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.17 -26.43 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 122.091 -0.381 . . . . 25.0 110.082 177.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.64 -39.25 76.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.747 0.308 . . . . 25.0 110.35 176.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.5 -55.24 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.804 -0.635 . . . . 25.0 112.684 -178.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -24.54 62.79 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -174.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.0 m -125.85 76.76 70.78 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.817 176.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.9 -12.76 28.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 CA-C-O 121.72 0.633 . . . . 25.0 112.327 -177.798 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -17.9 38.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.63 -0.714 . . . . 25.0 111.82 176.523 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.81 -49.21 87.02 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.589 0.589 . . . . 25.0 112.589 -177.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.09 -20.46 37.94 Favored 'Trans proline' 0 C--N 1.356 0.949 1 C-N-CA 113.061 -4.16 . . . . 25.0 113.954 177.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.75 -15.64 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.889 0.329 . . . . 25.0 111.889 178.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -77.99 -30.62 50.26 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.342 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.22 20.52 58.48 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.749 -175.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.3 m -131.22 127.33 37.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -173.165 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -128.81 105.37 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.799 1.285 . . . . 25.0 109.757 -177.667 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -146.77 166.91 25.21 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 104.646 -2.353 . . . . 25.0 104.646 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.46 -30.2 47.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -65.73 -27.4 68.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.253 -0.279 . . . . 25.0 111.622 179.58 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.59 -49.0 8.37 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.631 0.729 . . . . 25.0 109.126 175.072 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -59.14 -35.83 74.16 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 114.854 1.428 . . . . 25.0 114.854 -175.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -58.41 -36.71 73.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.953 0.406 . . . . 25.0 111.942 -176.621 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -63.87 -21.02 66.26 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.45 1.278 . . . . 25.0 114.45 177.042 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 -37.72 80.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -35.13 64.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.871 -0.892 . . . . 25.0 110.871 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.13 -41.51 98.33 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 176.509 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -43.47 96.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.958 179.098 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -63.89 -38.18 90.15 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -68.05 -39.6 82.99 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 121.069 -0.252 . . . . 25.0 110.636 -177.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.27 -45.01 93.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.633 0.73 . . . . 25.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.25 -35.2 79.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -65.61 -37.29 86.18 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.652 176.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.03 -33.55 74.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.883 -0.511 . . . . 25.0 111.659 -177.123 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -69.64 -42.77 73.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -175.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -127.24 1.66 6.41 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 115.598 1.703 . . . . 25.0 115.598 -174.249 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.94 -162.86 48.97 Favored Glycine 0 C--O 1.243 0.709 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.371 -178.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.64 -7.31 21.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 121.179 1.253 . . . . 25.0 114.386 -178.018 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -74.9 -5.82 45.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -115.46 -46.5 2.87 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 179.317 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.16 131.04 24.47 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 176.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -76.63 153.51 34.29 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 114.612 -3.125 . . . . 25.0 111.382 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.83 -20.95 28.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 121.841 -0.537 . . . . 25.0 110.625 177.07 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -74.2 -17.95 60.83 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.661 -0.65 . . . . 25.0 111.593 177.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.2 82.96 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.571 -0.706 . . . . 25.0 109.478 178.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -72.67 -28.63 62.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.304 0.573 . . . . 25.0 110.738 178.152 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 t -73.97 -44.45 54.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 179.591 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.57 -43.12 99.59 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.221 175.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -57.9 -37.99 75.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.735 0.302 . . . . 25.0 111.211 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -69.42 -30.51 68.48 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.3 -44.16 88.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.172 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.97 -31.0 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.183 0.516 . . . . 25.0 109.795 179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -52.6 -51.14 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.22 -0.3 . . . . 25.0 111.313 179.425 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.2 -29.38 66.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.226 -0.589 . . . . 25.0 111.578 -178.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.41 -40.07 89.35 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.224 -0.297 . . . . 25.0 111.2 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 73.8 mt -77.24 -42.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 178.159 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.22 -36.99 78.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 25.0 110.717 -176.463 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -113.87 38.64 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.08 -25.22 65.23 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.226 0.536 . . . . 25.0 109.784 176.157 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.95 -30.09 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -179.18 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.21 7.39 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 121.516 0.674 . . . . 25.0 110.063 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -125.46 78.07 68.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.677 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -19.07 42.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.465 -1.224 . . . . 25.0 114.406 -175.819 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 178.163 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.02 -27.12 14.77 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 C-N-CA 119.98 -0.688 . . . . 25.0 110.589 -177.628 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -41.56 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.809 0.731 . . . . 25.0 110.669 178.019 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.65 -27.92 68.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.086 0.47 . . . . 25.0 110.419 176.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.42 -30.47 53.5 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 179.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.77 -48.21 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 176.376 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.85 98.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.08 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.62 -40.79 96.12 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.479 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -66.86 -37.76 85.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.0 -39.9 93.8 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.001 -0.437 . . . . 25.0 110.664 177.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.27 -41.2 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.235 -0.29 . . . . 25.0 111.546 178.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.06 -37.76 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.59 -36.28 80.21 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.13 -0.356 . . . . 25.0 111.276 176.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -74.82 -22.15 58.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.109 -0.37 . . . . 25.0 111.768 177.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.5 t -83.5 -17.09 43.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.189 0.519 . . . . 25.0 110.106 176.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -80.83 175.39 10.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 176.609 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 m -67.61 92.8 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.61 0.966 . . . . 25.0 113.61 -178.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.3 68.8 5.39 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 173.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.2 m -55.47 118.06 4.13 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 121.728 0.775 . . . . 25.0 111.599 -175.255 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.61 84.33 7.3 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 123.076 1.417 . . . . 25.0 109.358 -178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.5 mt -67.13 4.49 0.9 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 115.273 1.582 . . . . 25.0 115.273 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 69.74 -45.85 0.58 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 117.151 2.278 . . . . 25.0 117.151 169.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -66.68 53.78 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 117.135 2.272 . . . . 25.0 117.135 -173.519 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.92 107.32 3.48 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.005 0.922 . . . . 25.0 109.362 175.31 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.48 73.28 0.9 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.167 0.508 . . . . 25.0 109.751 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.21 105.02 2.81 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 118.862 -0.59 . . . . 25.0 109.422 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 39.0 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -179.149 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.24 -1.362 . . . . 25.0 108.107 174.791 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.143 0 N-CA-C 112.712 -0.155 . . . . 25.0 112.712 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.15 -36.65 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.927 0.363 . . . . 25.0 111.451 178.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.24 -43.23 61.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 176.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.7 -41.87 91.75 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -59.77 -24.4 64.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.741 1.756 . . . . 25.0 115.741 172.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -98.2 -14.08 20.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.516 0.674 . . . . 25.0 110.333 -178.708 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -80.51 75.95 7.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.66 -33.61 10.3 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 115.232 1.567 . . . . 25.0 115.232 -173.246 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -62.07 -33.21 73.99 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.224 -0.923 . . . . 25.0 112.303 177.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -83.64 -38.06 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 177.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.29 -39.62 68.85 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 CA-C-O 118.892 -0.575 . . . . 25.0 110.105 176.33 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -55.69 -45.01 77.89 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.343 0.974 . . . . 25.0 112.039 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -69.07 -34.47 75.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.822 -0.549 . . . . 25.0 110.226 178.707 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.244 -0.583 . . . . 25.0 112.144 175.041 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.59 -38.68 91.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.89 -48.37 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 176.169 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.03 92.41 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.68 -39.06 90.92 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 178.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.07 -45.88 83.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 -179.151 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -70.97 -18.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.569 -0.453 . . . . 25.0 111.057 -179.099 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -26.31 57.48 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.233 -0.292 . . . . 25.0 110.513 176.479 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 11.38 74.86 Favored Glycine 0 CA--C 1.517 0.191 0 N-CA-C 111.072 -0.811 . . . . 25.0 111.072 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.19 125.66 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.71 0.767 . . . . 25.0 110.345 -172.509 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.7 84.64 3.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.4 t -147.59 139.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 104.441 -2.429 . . . . 25.0 104.441 -179.046 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.92 138.45 58.38 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 178.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -51.37 25.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 -179.568 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.79 -29.04 69.88 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 120.924 0.392 . . . . 25.0 111.259 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.56 -19.34 45.88 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.513 -179.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.61 -52.19 8.3 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.552 -1.277 . . . . 25.0 107.552 173.097 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' ' 35' ' ' PHE . 4.3 mm? -52.8 -33.32 48.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.976 176.133 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -49.78 -38.04 32.52 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 175.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -73.16 -24.26 60.55 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.657 -0.652 . . . . 25.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' A' ' 32' ' ' LEU . 29.7 m-85 -73.37 -24.21 60.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.228 174.068 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.26 -29.58 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.462 0.649 . . . . 25.0 109.331 177.31 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.88 -34.09 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.288 178.342 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.11 -30.74 42.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.161 -0.616 . . . . 25.0 109.817 177.299 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -37.68 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 178.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.98 -47.91 34.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.496 -0.775 . . . . 25.0 111.154 -179.408 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -72.71 -38.23 67.56 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -176.397 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 82.74 45.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 122.134 -0.353 . . . . 25.0 110.225 -178.157 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -71.6 -16.75 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 CA-C-O 121.669 0.612 . . . . 25.0 112.037 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -11.04 59.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.018 176.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -71.17 -52.72 8.93 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.394 -0.816 . . . . 25.0 111.857 177.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.45 -20.06 48.45 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 113.61 -3.793 . . . . 25.0 113.453 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -63.16 -25.11 68.19 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.597 0.359 . . . . 25.0 111.951 177.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.03 -16.65 62.62 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.859 -0.526 . . . . 25.0 111.273 178.217 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.74 14.33 43.36 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 116.176 1.23 . . . . 25.0 116.176 174.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -137.88 140.06 40.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -173.303 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mm -114.18 113.65 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 122.895 1.331 . . . . 25.0 109.517 178.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -152.11 158.47 43.01 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.109 -1.405 . . . . 25.0 107.654 176.193 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.65 -29.95 48.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.367 -0.379 . . . . 25.0 111.231 -176.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -66.26 -33.16 75.11 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.065 -0.397 . . . . 25.0 110.063 -179.896 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -81.38 -33.87 32.03 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.238 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -63.78 -26.6 68.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.708 177.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -55.06 -46.62 75.42 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 176.127 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -57.61 -29.41 64.5 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -177.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.23 -40.15 80.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.594 0.711 . . . . 25.0 109.207 -179.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -35.94 59.12 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.499 -1.04 . . . . 25.0 110.499 178.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.1 -37.91 89.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 177.218 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -44.33 96.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 25.0 111.239 177.532 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.16 -38.0 89.18 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.271 -0.572 . . . . 25.0 109.524 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -64.29 -43.68 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.65 0.262 . . . . 25.0 110.739 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -62.86 -48.32 79.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.745 0.783 . . . . 25.0 109.628 -177.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -33.32 75.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.854 179.444 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -67.82 -36.91 81.21 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.907 -0.496 . . . . 25.0 110.906 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.784 -0.572 . . . . 25.0 109.868 179.447 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.5 m -69.67 -43.07 73.3 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.34 6.51 7.02 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.112 1.893 . . . . 25.0 116.112 -170.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.08 -177.69 50.04 Favored Glycine 0 C--O 1.243 0.715 0 N-CA-C 116.775 1.47 . . . . 25.0 116.775 174.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.66 -9.39 23.86 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.329 2.019 . . . . 25.0 114.604 -178.483 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.61 -20.51 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.301 0.572 . . . . 25.0 110.437 178.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -95.96 -49.43 5.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.573 179.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.82 130.95 24.19 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.99 153.97 22.45 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 115.317 -2.655 . . . . 25.0 111.782 178.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.47 -20.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 121.769 -0.582 . . . . 25.0 110.659 176.22 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -72.91 -19.92 61.17 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.618 -0.676 . . . . 25.0 111.197 177.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.75 83.81 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.499 0.59 . . . . 25.0 109.659 179.311 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -71.0 -30.37 66.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.324 0.583 . . . . 25.0 111.073 178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -74.82 -42.37 58.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 -179.746 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.41 -44.0 95.89 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 175.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.66 -36.99 75.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.168 0.509 . . . . 25.0 111.306 179.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -70.66 -36.03 73.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 122.892 0.477 . . . . 25.0 110.812 -177.519 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.77 -36.58 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.398 -179.228 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.97 -28.4 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.678 -0.237 . . . . 25.0 110.565 178.039 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -57.15 -41.92 80.03 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.578 -0.701 . . . . 25.0 110.711 -179.532 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.93 -24.7 59.71 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 110.971 -177.535 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.7 -40.29 63.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.324 -0.235 . . . . 25.0 110.966 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.5 mt -73.87 -39.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.64 -35.55 74.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.748 0.308 . . . . 25.0 110.3 -177.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -113.22 32.57 5.65 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 178.377 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -63.78 -23.71 67.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.45 0.643 . . . . 25.0 110.048 175.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -61.91 -24.06 66.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.91 11.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.094 0.473 . . . . 25.0 110.735 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -129.62 85.55 58.21 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 121.047 0.451 . . . . 25.0 110.972 -177.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.26 -24.35 43.96 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 N-CA-C 116.892 1.843 . . . . 25.0 116.892 -171.36 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.52 -35.08 79.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.759 0.709 . . . . 25.0 109.405 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.83 -30.61 6.91 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 C-N-CA 120.042 -0.663 . . . . 25.0 109.747 178.938 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -62.82 -35.91 81.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 25.0 111.377 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.33 70.95 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.042 -0.411 . . . . 25.0 110.698 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.63 -34.56 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.887 -0.782 . . . . 25.0 108.887 179.275 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.95 -49.8 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 176.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.83 94.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 25.0 110.504 -178.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.3 -36.57 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 178.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.5 m -61.76 -44.14 97.48 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 178.553 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -58.18 -38.76 77.32 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 176.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.85 -45.38 86.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.477 0.656 . . . . 25.0 110.564 178.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.45 -32.88 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.134 -177.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -31.66 71.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.344 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.28 -27.28 68.93 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 122.052 -0.405 . . . . 25.0 111.726 177.106 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -83.47 -18.69 37.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.122 0.487 . . . . 25.0 112.019 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -86.44 75.5 9.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 -178.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.0 t -60.83 -24.27 65.74 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -174.658 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -170.77 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.168 -1.378 . . . . 25.0 111.706 176.863 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.6 m 53.26 54.97 9.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 123.45 1.595 . . . . 25.0 109.922 179.575 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -75.56 50.13 0.53 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 112.78 -2.009 . . . . 25.0 115.095 -175.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -103.98 149.55 25.04 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.908 -0.495 . . . . 25.0 111.314 177.413 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.93 146.97 50.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 106.542 -1.651 . . . . 25.0 106.542 178.752 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.52 38.88 1.26 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -56.75 -31.14 64.29 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.727 -0.608 . . . . 25.0 112.447 178.075 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.32 -10.74 5.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -177.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -57.04 -64.83 0.75 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.938 -0.553 . . . . 25.0 112.383 178.401 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.9 m80 65.86 122.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.67 1.188 . . . . 25.0 112.369 -170.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.6 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 115.733 -2.079 . . . . 25.0 109.894 -179.477 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.219 0 N-CA-C 111.289 -0.724 . . . . 25.0 111.289 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.74 -39.87 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.752 -0.263 . . . . 25.0 110.57 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -71.2 -38.32 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.251 0.548 . . . . 25.0 111.331 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.27 -41.23 96.59 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.747 -0.595 . . . . 25.0 109.68 177.608 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 -8.79 56.27 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 174.814 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -98.59 -24.03 15.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.152 0.977 . . . . 25.0 108.891 -178.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -85.24 92.34 8.39 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.599 -0.728 . . . . 25.0 109.568 179.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -53.51 -28.6 31.96 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -178.634 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -57.66 -32.6 67.47 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.779 -0.576 . . . . 25.0 111.47 175.258 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -87.88 -40.86 13.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.225 0.61 . . . . 25.0 109.891 179.056 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 16' ' ' LYS . 45.6 t -59.02 -36.69 63.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-N 115.679 -0.691 . . . . 25.0 109.781 -179.421 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.82 -50.0 69.65 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.774 0.716 . . . . 25.0 112.722 178.312 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -64.37 -40.37 95.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.161 0.981 . . . . 25.0 109.166 178.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -69.56 -23.58 63.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.027 -176.793 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' HG12 ' A' ' 12' ' ' VAL . 68.2 mttt -61.19 -40.27 93.3 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.247 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.31 -41.55 21.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.909 177.253 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -62.64 -38.83 91.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.221 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.51 -39.6 91.55 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 177.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -29.67 26.67 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -175.548 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t -69.71 -18.06 63.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.632 0.651 . . . . 25.0 110.477 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.89 -14.68 59.86 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.929 -0.482 . . . . 25.0 110.389 174.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.11 -20.6 9.68 Favored Glycine 0 CA--C 1.517 0.2 0 CA-C-O 121.333 0.407 . . . . 25.0 113.567 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 t -76.02 124.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 -177.142 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -83.77 84.34 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.952 -0.467 . . . . 25.0 110.395 -176.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.3 153.03 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.176 0.513 . . . . 25.0 109.879 178.367 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.06 141.48 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 175.091 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -51.58 61.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.28 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.48 81.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -177.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.41 -34.15 58.82 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.913 -0.315 . . . . 25.0 110.346 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.85 -53.7 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.158 0.504 . . . . 25.0 110.254 -179.386 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.97 -20.91 66.36 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.537 0.569 . . . . 25.0 112.537 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -63.56 -28.53 70.0 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.395 -0.922 . . . . 25.0 110.169 175.508 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -79.28 -23.8 43.35 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.217 -0.927 . . . . 25.0 112.007 175.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.95 -36.9 78.47 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 106.171 -1.789 . . . . 25.0 106.171 172.075 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.71 -32.55 73.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.774 -1.103 . . . . 25.0 110.41 179.233 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.02 -37.89 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.113 -0.494 . . . . 25.0 111.558 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG13 ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -66.11 -29.12 45.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 119.787 -0.765 . . . . 25.0 109.998 179.58 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.33 -37.15 86.48 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.114 -177.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.1 -52.75 25.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.497 -0.774 . . . . 25.0 111.679 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -74.01 -29.26 61.85 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -177.27 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -124.01 75.14 58.19 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.26 -177.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.22 -17.07 40.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 118.043 -0.838 . . . . 25.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.48 -13.18 59.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.626 176.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -69.0 -54.36 12.35 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 121.311 -0.868 . . . . 25.0 111.573 177.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.18 -17.16 35.83 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 113.665 -3.757 . . . . 25.0 113.306 177.141 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.05 -33.61 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.386 0.274 . . . . 25.0 111.62 178.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.86 -21.99 61.59 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.989 -0.444 . . . . 25.0 110.868 177.496 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.4 20.3 36.67 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.149 0.82 . . . . 25.0 115.149 177.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -130.73 132.77 45.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.673 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mm -105.63 112.69 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 122.921 1.343 . . . . 25.0 109.967 179.568 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -149.74 161.04 43.0 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.872 -1.513 . . . . 25.0 107.197 174.336 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.3 tp -67.08 -28.92 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.418 -0.355 . . . . 25.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 90.5 mttt -67.17 -34.94 78.6 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.903 -0.498 . . . . 25.0 109.889 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -70.38 -38.13 74.67 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 175.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -66.88 -27.53 67.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 179.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 27.5 mmt180 -57.91 -47.36 83.05 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.65 -30.57 63.48 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -178.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.22 -41.07 88.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.703 . . . . 25.0 109.911 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -33.93 43.85 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.351 -0.928 . . . . 25.0 110.832 -179.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.93 -38.78 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.37 -44.51 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.658 178.564 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.18 -37.58 87.8 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 179.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.08 -41.55 86.17 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.304 -0.158 . . . . 25.0 111.01 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.53 -47.07 83.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.699 0.762 . . . . 25.0 109.095 -178.709 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -37.35 87.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.108 178.712 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.59 -37.03 84.05 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 122.185 -0.322 . . . . 25.0 111.517 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -34.44 63.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.472 -0.767 . . . . 25.0 109.755 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.7 m -67.84 -43.03 80.49 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.27 2.27 6.38 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 117.284 2.327 . . . . 25.0 117.284 -171.884 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.64 178.35 52.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 117.194 1.638 . . . . 25.0 117.194 174.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.38 -15.18 31.29 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.646 2.23 . . . . 25.0 113.862 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.64 -14.46 61.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.589 0.709 . . . . 25.0 109.738 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.03 -44.58 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.088 -178.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.72 130.88 23.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 178.204 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.19 149.49 19.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 115.219 -2.72 . . . . 25.0 112.722 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.58 -19.75 26.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 121.826 -0.546 . . . . 25.0 110.862 176.327 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 t -72.68 -19.03 61.49 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.605 -0.685 . . . . 25.0 111.221 177.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -37.64 88.09 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -71.6 -33.06 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.293 0.568 . . . . 25.0 110.61 178.145 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -69.05 -45.89 69.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.72 -41.62 98.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 25.0 109.885 176.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.11 -40.17 80.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.077 179.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.06 -29.32 70.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 -179.399 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.01 -41.26 97.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.53 0.681 . . . . 25.0 109.85 179.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.69 -29.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 179.277 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.78 -52.61 64.36 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.97 -0.381 . . . . 25.0 109.97 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -67.35 -22.42 65.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -178.331 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.0 tp -79.77 -42.52 24.32 Favored 'General case' 0 N--CA 1.427 -1.595 0 C-N-CA 122.879 0.472 . . . . 25.0 111.445 -177.053 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.8 mt -74.02 -34.91 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 176.287 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.61 -28.86 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.998 0.519 . . . . 25.0 110.968 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -122.84 32.67 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.11 0.481 . . . . 25.0 112.283 -179.084 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -63.15 -24.87 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.693 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.3 -26.51 67.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -178.309 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.3 m -109.2 10.61 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.663 0.744 . . . . 25.0 109.835 177.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -125.1 81.51 62.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 178.691 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -65.75 -17.71 56.88 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.325 -1.316 . . . . 25.0 113.722 -178.708 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -63.45 -44.3 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 p -84.84 -25.25 6.99 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.986 179.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -39.39 80.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.979 0.809 . . . . 25.0 110.716 179.838 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.24 79.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.329 175.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.79 59.5 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 122.314 -0.241 . . . . 25.0 110.701 -178.439 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.02 -48.77 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 107.589 -1.263 . . . . 25.0 107.589 177.257 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.18 88.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.953 179.483 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.8 -38.52 90.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.039 -0.413 . . . . 25.0 111.393 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.1 m -63.64 -44.62 93.33 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.595 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.08 -46.67 85.08 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.697 -0.401 . . . . 25.0 111.441 178.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -64.07 -37.46 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 25.0 111.679 -178.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -70.32 -38.66 75.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.569 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.344 -0.222 . . . . 25.0 110.881 177.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -67.18 -30.05 69.9 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.224 0.535 . . . . 25.0 110.44 177.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t -83.4 -15.95 47.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 113' ' ' ASN . 6.1 m120 -64.37 146.98 53.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.04 0.924 . . . . 25.0 112.464 -173.403 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.8 p -77.23 163.83 26.16 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.985 -1.007 . . . . 25.0 108.933 176.602 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -57.89 -35.79 71.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.759 -1.11 . . . . 25.0 111.364 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.0 t -137.95 142.36 40.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 176.13 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -141.12 12.23 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.48 0.712 . . . . 25.0 111.807 -173.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.7 pp -77.84 155.31 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.535 0.683 . . . . 25.0 112.576 -175.372 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.64 146.98 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.519 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.26 23.82 0.57 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.44 32.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -172.625 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -66.81 146.07 54.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.913 -0.492 . . . . 25.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -127.49 21.07 6.63 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -179.021 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 62.79 93.96 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.769 0.828 . . . . 25.0 110.087 -167.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 C--O 1.238 0.488 0 N-CA-C 105.069 -2.197 . . . . 25.0 105.069 172.088 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 0 CA-C-O 120.237 -0.202 . . . . 25.0 112.828 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -64.62 -36.89 85.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.374 0.587 . . . . 25.0 110.826 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.93 -28.12 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.295 0.569 . . . . 25.0 110.425 178.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.02 -38.87 92.3 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.881 -0.512 . . . . 25.0 110.575 175.032 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -8.48 45.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 172.82 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -94.76 -17.4 22.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.093 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -86.88 101.28 13.23 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 122.091 -0.381 . . . . 25.0 110.032 -179.51 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.86 -36.99 63.21 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 -173.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -63.95 -37.33 87.02 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.939 0.791 . . . . 25.0 111.279 178.277 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -71.53 -43.6 66.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.751 0.786 . . . . 25.0 108.965 179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.69 -40.93 78.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 CA-C-N 114.847 -1.069 . . . . 25.0 109.748 176.729 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.23 -48.18 79.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.091 0.859 . . . . 25.0 112.229 179.178 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -62.65 -40.19 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 25.0 109.948 178.143 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -71.45 -24.12 61.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -60.52 -41.83 95.21 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 175.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -74.84 -41.57 59.62 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.825 178.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.77 79.03 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -176.588 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.51 -37.73 88.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 177.135 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -63.64 -45.79 88.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.292 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 p -68.77 -20.8 64.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.246 0.476 . . . . 25.0 111.77 -178.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -74.4 -20.73 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.364 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.45 79.32 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 121.125 -0.559 . . . . 25.0 113.55 175.106 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -120.91 138.82 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.709 0.766 . . . . 25.0 110.441 -175.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -85.35 84.29 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.09 -0.505 . . . . 25.0 110.213 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.5 t -114.85 134.31 58.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 177.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -64.36 135.69 56.41 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.093 -1.817 . . . . 25.0 106.093 177.881 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -47.26 68.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.27 70.55 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.86 179.068 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.92 -31.56 51.17 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.22 -52.55 32.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 176.229 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -20.05 66.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -55.75 -40.04 72.0 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 173.44 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -77.02 -24.28 52.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.8 -21.8 61.66 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 172.203 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.0 -38.46 25.04 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 176.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.0 -31.97 73.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.871 -0.732 . . . . 25.0 109.478 177.289 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -64.51 -36.89 85.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.56 -0.712 . . . . 25.0 111.297 179.541 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.97 -35.63 81.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.152 0.501 . . . . 25.0 111.768 -179.4 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -91.51 -25.68 19.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.758 0.789 . . . . 25.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.9 m -131.5 82.24 62.22 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 123.381 0.672 . . . . 25.0 110.747 -178.173 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.6 -21.42 34.26 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 117.789 -1.007 . . . . 25.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -18.44 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.494 -0.775 . . . . 25.0 113.016 178.169 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.79 -54.39 47.78 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 121.681 -0.637 . . . . 25.0 111.384 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.41 -15.96 22.05 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 113.953 -3.564 . . . . 25.0 114.29 176.44 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.08 -47.98 72.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.606 -0.516 . . . . 25.0 109.606 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.53 -37.03 60.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 175.124 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HE3' ' A' ' 111' ' ' LYS . . . 69.65 10.43 63.86 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-N 115.234 -0.894 . . . . 25.0 114.854 176.446 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.441 ' HB ' HH11 ' A' ' 55' ' ' ARG . 22.8 m -82.73 116.25 22.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.749 0.775 . . . . 25.0 109.04 179.365 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -112.65 99.17 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 123.357 1.551 . . . . 25.0 111.116 -176.121 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -149.49 166.41 29.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 104.261 -2.496 . . . . 25.0 104.261 175.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tp -61.38 -28.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.538 0.209 . . . . 25.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -59.14 -38.92 80.84 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.787 -0.571 . . . . 25.0 111.027 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 HH11 ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -85.36 -38.22 19.0 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 120.466 0.174 . . . . 25.0 111.215 177.185 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -63.06 -30.55 71.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 -178.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -60.97 -39.88 91.26 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.942 -0.474 . . . . 25.0 111.338 174.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.98 67.87 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 177.197 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.88 -38.51 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 176.209 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.824 -0.91 . . . . 25.0 110.824 178.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -59.88 -42.73 94.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 175.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.73 96.53 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.172 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -63.83 -37.96 89.34 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.019 -0.672 . . . . 25.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.48 -50.89 69.62 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.492 -0.558 . . . . 25.0 109.492 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.9 -37.66 79.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.23 -0.441 . . . . 25.0 111.066 -175.211 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.05 -34.84 75.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 178.136 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -64.94 -38.93 92.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.18 -29.76 68.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.843 0.354 . . . . 25.0 111.115 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 m -83.06 -41.21 18.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.3 0.852 . . . . 25.0 113.3 -177.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -117.51 -0.88 11.8 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.739 1.755 . . . . 25.0 115.739 -171.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.41 175.82 43.72 Favored Glycine 0 C--O 1.249 1.085 0 N-CA-C 116.362 1.305 . . . . 25.0 116.362 176.342 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.01 -15.82 44.02 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.731 2.287 . . . . 25.0 115.401 -178.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.51 -26.94 61.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.068 -0.395 . . . . 25.0 111.163 178.087 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -95.38 -48.42 5.88 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.426 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.6 t -108.0 130.93 22.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.74 156.0 10.3 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 115.962 -2.225 . . . . 25.0 112.117 177.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.04 -21.51 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.688 -0.632 . . . . 25.0 110.841 176.217 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 t -74.35 -17.6 60.81 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.696 -0.627 . . . . 25.0 111.287 177.545 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.13 79.69 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.54 -32.05 69.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.228 0.537 . . . . 25.0 110.909 178.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -45.73 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -62.42 -43.97 97.55 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.512 176.219 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -57.19 -39.45 75.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.716 0.293 . . . . 25.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -66.91 -35.62 80.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.774 -178.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -45.21 95.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.12 -0.326 . . . . 25.0 110.12 178.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.72 -32.3 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 178.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -58.42 -44.19 88.98 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.537 -0.727 . . . . 25.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.19 -27.34 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.089 -0.644 . . . . 25.0 110.576 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.55 -40.4 94.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.258 -0.275 . . . . 25.0 110.258 172.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.38 -40.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 121.261 -0.176 . . . . 25.0 110.915 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.27 -35.84 72.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.324 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.01 33.58 4.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -67.28 -21.11 65.71 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 171.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -128.5 4.0 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.978 0.894 . . . . 25.0 111.271 -175.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.24 85.62 58.01 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.627 -0.715 . . . . 25.0 109.47 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.9 -18.16 57.02 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 116.948 -1.568 . . . . 25.0 113.773 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.06 -43.91 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 m -84.99 -29.69 6.64 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.581 -178.163 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -62.43 -39.01 91.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.86 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.055 -0.403 . . . . 25.0 110.577 176.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.63 56.19 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 178.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.87 -50.35 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.144 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.63 93.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.34 -36.38 80.01 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.798 -0.361 . . . . 25.0 111.496 178.251 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 m -63.74 -44.02 94.73 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -179.523 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -62.03 -42.03 98.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.65 0.262 . . . . 25.0 110.769 179.504 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.67 -50.16 70.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 111.255 178.9 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.61 -39.02 84.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -176.433 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.21 -41.89 97.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.593 0.633 . . . . 25.0 111.972 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' HE3' ' HA3' ' A' ' 49' ' ' GLY . 32.7 mmtp -74.14 -33.04 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.798 -0.564 . . . . 25.0 112.095 178.03 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 -33.8 76.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.879 . . . . 25.0 109.342 174.258 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -69.29 -40.86 77.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.368 0.604 . . . . 25.0 109.902 178.662 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 m -84.64 27.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -175.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.56 -16.26 64.09 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.042 0.449 . . . . 25.0 110.083 174.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.6 p -125.13 127.52 46.99 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 107.76 -1.2 . . . . 25.0 107.76 177.537 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -85.27 -4.4 59.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.16 0.981 . . . . 25.0 112.63 -177.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.1 mt -65.65 135.46 55.05 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.614 -1.176 . . . . 25.0 113.067 -170.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -34.36 77.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 173.4 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 110.63 4.03 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.079 -1.823 . . . . 25.0 106.079 175.613 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.08 103.91 0.26 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 -172.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -70.34 -31.68 69.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -171.495 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -71.26 -47.25 58.14 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.995 0.739 . . . . 25.0 112.995 -175.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -158.83 155.35 27.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 -173.3 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 57.5 t60 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.304 -1.808 . . . . 25.0 106.75 170.893 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.499 H101 HG21 ' A' ' 106' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.447 0 N-CA-C 115.391 0.916 . . . . 25.0 115.391 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -58.35 -42.04 86.02 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.048 0.924 . . . . 25.0 110.245 178.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.24 -34.56 63.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 25.0 109.825 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.61 -39.6 94.77 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.619 -0.676 . . . . 25.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -12.53 61.45 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 174.254 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -99.94 -17.87 17.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.096 0.95 . . . . 25.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -84.23 80.29 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.866 -176.185 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -48.21 -30.28 4.54 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.657 2.095 . . . . 25.0 116.657 -174.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.85 -40.41 72.82 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.504 0.669 . . . . 25.0 111.491 174.104 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.95 -38.93 16.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.033 -178.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG12 ' HE3' ' A' ' 16' ' ' LYS . 47.5 t -59.2 -42.91 88.37 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-O 119.279 -0.391 . . . . 25.0 110.311 179.429 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.76 -42.65 84.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.934 0.788 . . . . 25.0 112.088 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -40.82 88.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 179.207 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.08 -23.4 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE3' HG12 ' A' ' 12' ' ' VAL . 79.4 mttt -59.88 -28.02 67.19 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 177.825 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -83.93 -50.39 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.59 170.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.1 81.23 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -175.03 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -38.35 77.44 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.121 0.486 . . . . 25.0 109.725 179.527 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.53 -34.44 65.23 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.111 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -66.63 -22.01 66.11 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -176.725 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -77.19 -19.76 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.72 -0.612 . . . . 25.0 109.564 176.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.33 78.96 Favored Glycine 0 C--O 1.238 0.374 0 CA-C-O 121.389 0.439 . . . . 25.0 113.402 177.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 t -93.48 122.18 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -175.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.37 84.34 7.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.288 -174.145 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.3 t -105.45 140.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.644 -1.243 . . . . 25.0 107.644 179.38 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -68.29 133.42 48.75 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.008 -1.849 . . . . 25.0 106.008 175.283 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -50.88 -50.29 57.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -177.879 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.33 70.71 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.7 -178.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -81.3 -28.42 34.62 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 116.723 -0.217 . . . . 25.0 111.249 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.88 -53.99 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.219 -0.992 . . . . 25.0 108.698 175.336 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.26 -19.95 65.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 179.257 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -54.33 -39.95 67.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.329 0.585 . . . . 25.0 110.1 172.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -82.16 -23.79 35.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.845 -178.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.11 -22.74 64.88 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 171.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.02 -37.65 46.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.649 0.738 . . . . 25.0 109.748 178.391 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -65.93 -33.55 76.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -176.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.123 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -37.17 84.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.853 -0.529 . . . . 25.0 110.152 179.419 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.9 -49.0 77.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -77.84 -28.91 50.27 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -179.754 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -118.5 84.73 24.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 121.906 -0.496 . . . . 25.0 111.909 -176.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.27 -16.99 39.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-O 121.324 0.468 . . . . 25.0 113.003 -179.39 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -13.06 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 177.221 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.59 -48.74 64.4 Favored Pre-proline 0 CA--C 1.544 0.728 0 O-C-N 121.477 -0.765 . . . . 25.0 112.729 -178.465 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.51 -20.29 31.48 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 113.951 -3.566 . . . . 25.0 114.031 175.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -68.04 -39.7 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.901 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.95 -41.6 95.35 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 175.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.45 31.96 71.66 Favored Glycine 0 C--O 1.219 -0.798 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.697 176.08 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -129.24 132.41 47.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.282 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -109.73 99.37 8.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 123.871 1.795 . . . . 25.0 107.92 177.507 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.51 157.42 43.26 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.31 -2.223 . . . . 25.0 105.819 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 tp -68.76 -28.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -172.061 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 34.7 mmtp -68.21 -35.37 77.86 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.459 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -64.68 -42.33 95.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 177.222 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -67.16 -29.77 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 54' ' ' LYS . 26.2 mmt180 -58.72 -42.02 87.73 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 177.531 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -61.94 -30.88 71.21 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.211 -178.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -68.51 -40.1 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.32 0.581 . . . . 25.0 110.109 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.06 78.22 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -179.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.62 -37.98 85.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.75 0.786 . . . . 25.0 109.511 177.399 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -43.29 96.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.043 176.751 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -64.62 -34.08 77.44 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.916 -0.49 . . . . 25.0 110.205 178.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -64.45 -44.48 90.96 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 -178.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.81 -43.92 71.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.694 0.759 . . . . 25.0 111.004 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -63.66 -30.17 71.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -69.92 -46.02 66.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 174.849 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.93 -23.25 65.95 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 m -58.12 -44.02 87.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.2 -22.67 3.7 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 116.943 2.201 . . . . 25.0 116.943 -177.406 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.73 -170.33 16.0 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 -170.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.46 -7.42 20.91 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 116.713 1.774 . . . . 25.0 116.713 -174.163 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.56 -25.85 59.56 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 121.631 -0.668 . . . . 25.0 110.945 176.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.44 -48.62 9.44 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.044 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.6 t -124.36 130.77 24.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.94 153.51 29.13 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 115.492 -2.538 . . . . 25.0 111.791 177.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.06 -20.9 28.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.74 -0.6 . . . . 25.0 110.844 176.555 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -72.2 -18.08 61.88 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.657 -0.652 . . . . 25.0 111.067 177.405 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.07 79.43 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 120.206 -0.598 . . . . 25.0 109.974 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.81 -30.76 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.125 0.488 . . . . 25.0 111.115 178.417 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.5 t -70.57 -44.5 67.24 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 177.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.16 -42.9 99.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.001 176.327 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -57.79 -39.07 76.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.323 . . . . 25.0 111.041 179.196 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -67.16 -25.79 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.75 -40.26 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.395 0.617 . . . . 25.0 109.529 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -76.62 -29.33 18.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.471 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -58.18 -52.67 64.59 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.289 -0.414 . . . . 25.0 109.947 178.042 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.44 -28.97 67.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.519 -0.472 . . . . 25.0 111.33 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -49.91 75.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.294 -0.254 . . . . 25.0 111.212 175.004 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 50.9 mt -76.42 -38.04 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.197 -177.278 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.09 -28.15 66.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.88 29.14 7.7 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 179.081 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -64.45 -21.8 66.77 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.164 0.507 . . . . 25.0 111.0 177.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.3 -41.31 96.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.67 7.97 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.446 0.641 . . . . 25.0 110.893 -176.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -126.58 84.35 62.74 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 178.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -66.99 -22.79 47.59 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 117.263 -1.358 . . . . 25.0 113.787 -177.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -69.23 -25.28 64.23 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 176.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.1 t -83.64 -44.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 176.151 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.5 ttp -62.34 -28.22 69.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -176.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.6 80.76 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.65 -0.656 . . . . 25.0 110.993 174.002 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 -33.79 58.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.659 -0.496 . . . . 25.0 109.659 178.43 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.89 -51.93 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 179.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.2 92.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 25.0 111.422 -178.554 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.02 -37.32 86.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.111 -0.368 . . . . 25.0 111.963 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.59 HG22 HD13 ' A' ' 110' ' ' LEU . 19.1 m -69.17 -36.03 76.93 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.791 -0.568 . . . . 25.0 110.194 -177.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.79 -38.39 81.74 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 122.085 -0.384 . . . . 25.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.51 -49.61 76.88 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.484 1.135 . . . . 25.0 109.11 176.17 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.9 -39.85 84.44 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 CA-C-N 114.145 -1.389 . . . . 25.0 110.848 -173.205 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.59 HD13 HG22 ' A' ' 106' ' ' THR . 3.2 mp -59.74 -38.26 81.24 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.458 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.98 -30.75 70.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.735 179.902 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.8 t -83.43 -39.25 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.267 0.556 . . . . 25.0 110.764 177.67 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -63.55 -28.1 69.71 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.615 0.766 . . . . 25.0 111.07 -177.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.3 m 54.44 -174.32 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 122.618 1.199 . . . . 25.0 113.656 176.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -68.71 -48.37 64.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.445 -0.798 . . . . 25.0 108.883 176.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.28 79.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -176.297 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -133.76 44.85 2.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 123.126 1.441 . . . . 25.0 107.244 170.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 120' ' ' HIS . 1.7 mp -72.35 158.52 35.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.419 -1.264 . . . . 25.0 111.552 -175.378 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.79 23.42 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.238 -0.892 . . . . 25.0 113.043 173.063 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' H ' ' C ' ' A' ' 118' ' ' LEU . 7.6 m80 65.64 5.6 3.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.986 1.314 . . . . 25.0 113.7 179.402 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.09 142.67 55.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 106.599 -1.63 . . . . 25.0 106.599 175.046 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -154.03 147.32 24.83 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 176.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -150.4 169.5 21.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -175.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.5 t60 60.72 -170.54 0.15 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.942 0.897 . . . . 25.0 109.794 178.148 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 p80 . . . . . 0 C--O 1.242 0.689 0 N-CA-C 103.924 -2.621 . . . . 25.0 103.924 177.318 . . . . . . . . 0 0 . 1 stop_ save_